UCSF

ZINC44892187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) 2.64 8.96 -52.5 1 3 1 52 234.367 5
Hi High (pH 8-9.5) 2.64 7.11 -12.11 0 3 0 51 233.359 5

Activity (Go SEA)

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