UCSF

ZINC44626939

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 3.64 8.24 -38.05 2 3 1 43 242.383 6
Mid Mid (pH 6-8) 3.64 6.9 -4.49 1 3 0 38 241.375 6

Activity (Go SEA)

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