UCSF

ZINC44649560

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 1.03 3.69 -41.72 3 4 1 55 237.323 7
Hi High (pH 8-9.5) 1.03 2.32 -7.36 2 4 0 50 236.315 7

Activity (Go SEA)

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