UCSF

ZINC44650204

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 15 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) 1.78 6.47 -39.58 2 3 1 37 213.345 8
Hi High (pH 8-9.5) 1.78 5.11 -6.73 1 3 0 32 212.337 8

Activity (Go SEA)

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