UCSF

ZINC45629266

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 14 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) 1.72 4.37 -37.02 3 2 1 29 195.33 3
Mid Mid (pH 6-8) 1.72 5.5 -108.39 4 2 2 33 196.338 3
Mid Mid (pH 6-8) 1.72 4.16 -38.97 3 2 1 29 195.33 3

Activity (Go SEA)

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