UCSF

ZINC37835741

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 Yes

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) 0.23 5.67 -54.46 1 6 -1 90 280.3 8
Lo Low (pH 4.5-6) 0.23 3.7 -11.69 2 6 0 87 281.308 8

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Rings

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