UCSF

ZINC06860188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 30 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) 4.30 9.96 -63.79 1 6 -1 87 420.514 5
Mid Mid (pH 6-8) 4.37 8.89 -154.74 0 6 -2 93 419.506 5

Activity (Go SEA)

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