UCSF

ZINC44648918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.23 0.19 -52.13 5 6 1 106 351.246 6
Hi High (pH 8-9.5) 1.23 -1.15 -12.6 4 6 0 101 350.238 6

Activity (Go SEA)

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