UCSF

ZINC20261933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.44 9.47 -115.39 4 3 2 47 281.403 4
Hi High (pH 8-9.5) 1.44 8.73 -6.57 2 3 0 44 279.387 4
Mid Mid (pH 6-8) 1.44 9.02 -56.57 3 3 1 45 280.395 4

Activity (Go SEA)

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