UCSF

ZINC22910001

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 21 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) 1.04 4.19 -40.15 2 5 1 46 289.403 5
Mid Mid (pH 6-8) 1.04 2.71 -27.6 2 5 1 46 289.403 5
Mid Mid (pH 6-8) 1.04 1.95 -10.26 1 5 0 45 288.395 5
Mid Mid (pH 6-8) 1.04 4.29 -40.95 2 5 1 46 289.403 5
Lo Low (pH 4.5-6) 1.04 5.05 -81.37 3 5 2 47 290.411 5

Activity (Go SEA)

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