UCSF

ZINC44935752

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 20 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) 1.89 6.49 -44.68 2 5 1 46 278.376 4
Mid Mid (pH 6-8) 1.89 4.27 -9.11 1 5 0 45 277.368 4

Activity (Go SEA)

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