UCSF

ZINC36949601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 11 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) -0.14 0.56 -35.53 4 2 1 48 156.18 1
Hi High (pH 8-9.5) -0.14 1.29 -35.52 3 2 0 51 155.172 1
Hi High (pH 8-9.5) -0.14 0.24 -4.84 3 2 0 46 155.172 1

Activity (Go SEA)

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