UCSF

ZINC27518645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 13 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) 0.68 1.02 -26.52 6 5 1 99 177.187 0
Hi High (pH 8-9.5) 0.68 1.32 -37.07 4 5 -1 101 175.171 0
Mid Mid (pH 6-8) 0.22 2.03 -20.33 5 5 0 98 176.179 0

Activity (Go SEA)

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