UCSF

ZINC44808508

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) -0.52 2.54 -90.87 5 4 2 61 213.325 4
Hi High (pH 8-9.5) -0.52 0.24 -47.49 4 4 1 60 212.317 4

Activity (Go SEA)

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