UCSF

ZINC39267895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 13 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) 1.94 6.42 -9.5 0 2 0 30 177.247 5
Lo Low (pH 4.5-6) 1.94 6.88 -34.24 1 2 1 31 178.255 5

Activity (Go SEA)

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