UCSF

ZINC44647795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 3.45 6.49 -42.78 3 3 1 46 314.247 6
Hi High (pH 8-9.5) 3.45 5.13 -6.08 2 3 0 41 313.239 6

Activity (Go SEA)

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