UCSF

ZINC60257983

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 17 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) 0.81 5.03 -37.11 1 4 1 28 240.371 2
Mid Mid (pH 6-8) 0.81 7.38 -83.48 2 4 2 29 241.379 2

Activity (Go SEA)

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