UCSF

ZINC33733935

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 36 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) 6.20 13.35 -19.27 2 6 0 84 513.022 7
Hi High (pH 8-9.5) 6.38 12.28 -44.25 1 6 -1 90 512.014 7

Activity (Go SEA)

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