UCSF

ZINC12613422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 24 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) 2.92 8.43 -43.29 2 5 1 50 325.436 3
Mid Mid (pH 6-8) 2.92 5.96 -10.4 1 5 0 48 324.428 3

Activity (Go SEA)

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