UCSF

ZINC41572276

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.17 3.2 -11.98 1 5 0 66 327.406 2
Mid Mid (pH 6-8) 2.24 2.7 -43.1 0 5 -1 64 326.398 3
Lo Low (pH 4.5-6) 2.24 5.17 -56.7 1 5 0 66 327.406 3
Lo Low (pH 4.5-6) 3.17 5.63 -54.53 2 5 1 67 328.414 2

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

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