UCSF

ZINC43615596

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 16 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) 3.12 8.6 -33.69 1 3 1 31 230.372 8
Hi High (pH 8-9.5) 3.12 7.5 -3.15 0 3 0 30 229.364 8

Activity (Go SEA)

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