UCSF

ZINC02471059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 26 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) 3.30 9.4 -137.28 0 6 -2 107 348.31 2
Mid Mid (pH 6-8) 3.30 7.75 -65.91 1 6 -1 104 349.318 2
Mid Mid (pH 6-8) 3.30 7.4 -17.62 2 6 0 101 350.326 2
Mid Mid (pH 6-8) 3.30 9.54 -138.85 0 6 -2 107 348.31 2
Lo Low (pH 4.5-6) 3.30 7.09 -35.71 2 6 0 101 350.326 2

Activity (Go SEA)

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