UCSF

ZINC44688281

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.44 6.09 -46.17 2 2 1 26 230.278 6
Hi High (pH 8-9.5) 2.44 4.84 -5.97 1 2 0 21 229.27 6

Activity (Go SEA)

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