UCSF

ZINC40863827

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 17 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) -0.26 -1.07 -30.13 3 5 1 61 238.311 4
Mid Mid (pH 6-8) -0.26 -1.39 -8.88 2 5 0 60 237.303 4
Mid Mid (pH 6-8) -0.26 1.24 -88.79 4 5 2 62 239.319 4
Lo Low (pH 4.5-6) -0.26 0.92 -37.7 3 5 1 61 238.311 4

Activity (Go SEA)

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