UCSF

ZINC39957298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 12 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) 1.49 3.47 -35.12 2 2 1 20 169.292 1
Mid Mid (pH 6-8) 1.49 5.31 -105.39 3 2 2 21 170.3 1
Mid Mid (pH 6-8) 1.49 4.1 -27.68 2 2 1 16 169.292 1

Activity (Go SEA)

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