UCSF

ZINC39270035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 16 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) 1.92 7.11 -145.53 0 5 -2 89 222.196 5
Lo Low (pH 4.5-6) 1.92 5.02 -55.68 1 5 -1 87 223.204 5
Lo Low (pH 4.5-6) 1.92 5.11 -69.65 1 5 -1 87 223.204 5

Activity (Go SEA)

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