UCSF

ZINC11819215

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 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) 3.59 -1.03 -51 1 6 1 61 427.594 7
Mid Mid (pH 6-8) 3.59 -0.76 -117.94 2 6 2 63 428.602 7

Activity (Go SEA)

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