UCSF

ZINC19415651

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 3.32 8.11 -47.76 3 1 1 28 224.327 2
Hi High (pH 8-9.5) 3.32 7.84 -3.62 2 1 0 26 223.319 2

Activity (Go SEA)

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