UCSF

ZINC38120924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 17 Yes

Popular Name: (2-piperazin-1-ylindan-2-yl)methanol (2-piperazin-1-ylindan-2-yl)meth…

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Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 3.22 -38.47 2 3 0 40 232.327 2 ↓
Hi High (pH 8-9.5) 0.86 0.58 -4.22 2 3 0 35 232.327 2 ↓
Mid Mid (pH 6-8) 0.86 1.93 -44.16 3 3 1 40 233.335 2 ↓
Lo Low (pH 4.5-6) 0.86 4.03 -124.23 4 3 2 41 234.343 2 ↓
Lo Low (pH 4.5-6) 0.86 2.68 -35.61 3 3 1 37 233.335 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.