UCSF

ZINC44684166

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 2.09 3.6 -41.01 3 3 1 40 247.362 4
Lo Low (pH 4.5-6) 2.09 5.95 -110.74 4 3 2 41 248.37 4
Lo Low (pH 4.5-6) 2.09 4.93 -34.8 3 3 1 37 247.362 4

Activity (Go SEA)

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