UCSF

ZINC27554643

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2009 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) 0.88 2.17 -49.77 3 5 1 76 280.373 6
Hi High (pH 8-9.5) 0.88 0.8 -11.44 2 5 0 71 279.365 6

Activity (Go SEA)

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