UCSF

ZINC49328380

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 0.08 4.38 -44.03 2 4 1 38 197.306 7
Mid Mid (pH 6-8) 0.08 6.7 -120.74 3 4 2 39 198.314 7
Mid Mid (pH 6-8) 0.08 4.9 -79.2 3 4 2 39 198.314 7
Lo Low (pH 4.5-6) 0.08 7.2 -176.54 4 4 3 40 199.322 7

Activity (Go SEA)

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