UCSF

ZINC41655599

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 3.94 8.78 -43.04 1 3 0 54 243.306 2
Mid Mid (pH 6-8) 3.94 8.54 -51.87 0 3 -1 53 242.298 2

Activity (Go SEA)

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