UCSF

ZINC48631752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 15 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) -1.95 -1.43 -10.84 2 6 0 71 215.253 4
Mid Mid (pH 6-8) -1.95 -0.14 -52.55 3 6 1 75 216.261 4

Activity (Go SEA)

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