UCSF

ZINC20300431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.63 7.48 -97.54 4 4 2 50 285.476 7
Hi High (pH 8-9.5) 2.63 6.39 -38 3 4 1 46 284.468 7

Activity (Go SEA)

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