UCSF

ZINC19889652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 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) 3.79 8.83 -32.7 1 2 1 8 324.286 3
Hi High (pH 8-9.5) 3.79 6.62 -2.37 0 2 0 6 323.278 3
Mid Mid (pH 6-8) 3.79 9.06 -30.2 1 2 1 8 324.286 3

Activity (Go SEA)

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