UCSF

ZINC60250962

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 34 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) 0.88 6.75 -97.15 3 10 -1 147 475.518 15
Mid Mid (pH 6-8) 0.88 8.85 -131.64 4 10 0 148 476.526 15

Activity (Go SEA)

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