UCSF

ZINC04830894

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 20 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) -1.39 -2.73 -52.56 6 9 1 136 281.296 3
Lo Low (pH 4.5-6) -1.39 -2.48 -108.83 7 9 2 137 282.304 3
Lo Low (pH 4.5-6) -1.39 -6.88 -93.15 7 9 2 137 282.304 3

Activity (Go SEA)

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