UCSF

ZINC44648196

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) 1.87 5.35 -47.75 3 4 1 69 272.25 5
Hi High (pH 8-9.5) 1.87 3.99 -7.31 2 4 0 65 271.242 5

Activity (Go SEA)

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