UCSF

ZINC23247834

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 20 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) 3.47 9.39 -33.63 1 2 1 8 289.468 7
Hi High (pH 8-9.5) 3.47 7.5 -3 0 2 0 6 288.46 7
Mid Mid (pH 6-8) 3.47 9.42 -38.66 1 2 1 8 289.468 7

Activity (Go SEA)

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