UCSF

ZINC37835554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.84 6.83 -63.81 1 5 -1 81 292.355 6
Lo Low (pH 4.5-6) 1.84 4.46 -8.85 2 5 0 78 293.363 6

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Rings

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