UCSF

ZINC40148846

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 No

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) -0.64 14.57 -104.17 3 7 2 75 424.545 8
Hi High (pH 8-9.5) -0.64 12.36 -38.21 2 7 1 74 423.537 8

Activity (Go SEA)

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