UCSF

ZINC39225852

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 12 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) 1.54 4.46 -7.7 1 3 0 30 165.24 1
Lo Low (pH 4.5-6) 1.54 4.59 -23.51 2 3 1 31 166.248 1

Activity (Go SEA)

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