UCSF

ZINC19888976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 2.94 9.25 -81.18 2 3 2 12 295.515 3
Hi High (pH 8-9.5) 2.94 6.7 -35.13 1 3 1 11 294.507 3
Mid Mid (pH 6-8) 2.94 8.96 -104.1 2 3 2 12 295.515 3

Activity (Go SEA)

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