UCSF

ZINC45623709

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 0.87 2.83 -41.9 4 5 1 63 342.261 4
Mid Mid (pH 6-8) 0.87 0.45 -10.2 3 5 0 62 341.253 4
Mid Mid (pH 6-8) 0.87 2.71 -44.49 4 5 1 63 342.261 4

Activity (Go SEA)

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