UCSF

ZINC42580199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 1.55 4.27 -40.33 3 2 1 31 197.346 6
Mid Mid (pH 6-8) 1.55 5.81 -115.66 4 2 2 32 198.354 6
Mid Mid (pH 6-8) 1.55 5.4 -24.92 3 2 1 30 197.346 6

Activity (Go SEA)

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