UCSF

ZINC34595262

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 1.91 5.78 -35.27 1 2 1 8 265.274 4
Mid Mid (pH 6-8) 1.91 3.3 -2.24 0 2 0 6 264.266 4
Mid Mid (pH 6-8) 1.91 8.27 -83.84 2 2 2 9 266.282 4

Activity (Go SEA)

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