UCSF

ZINC34665371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 5.02 9.07 -38.9 2 2 1 26 297.205 4
Hi High (pH 8-9.5) 5.02 7.85 -5.28 1 2 0 21 296.197 4

Activity (Go SEA)

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