UCSF

ZINC43447253

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.46 8.36 -37.35 2 4 1 52 286.779 9
Hi High (pH 8-9.5) 3.46 6.91 -7.31 1 4 0 48 285.771 9

Activity (Go SEA)

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