UCSF

ZINC67679211

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 28 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) 1.69 3.94 -10.95 2 6 0 67 389.54 7
Mid Mid (pH 6-8) 1.69 6.28 -29.69 3 6 1 68 390.548 7

Activity (Go SEA)

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