UCSF

ZINC23367413

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Popular Name: (2R,3R)-3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]spiro[indane-1,4'-piperidine]-2-ol (2R,3R)-3-[4-(4-methyl-2-pyridyl…

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Download: MOL2 SDF SMILES Flexibase

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) 2.06 6.18 -98.75 4 5 2 57 380.536 2 ↓
Mid Mid (pH 6-8) 2.06 5.89 -52.57 3 5 1 56 379.528 2 ↓
Lo Low (pH 4.5-6) 2.06 8 -189.9 5 5 3 59 381.544 2 ↓

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Rings

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

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