UCSF

ZINC37821428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.78 3.18 -37.57 4 4 1 68 245.387 10
Hi High (pH 8-9.5) 1.78 2.84 -9.41 3 4 0 67 244.379 10

Activity (Go SEA)

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