UCSF

ZINC19505422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.55 1.02 -57.63 3 6 -1 108 222.224 6
Lo Low (pH 4.5-6) -0.55 1.37 -68.8 4 6 0 109 223.232 6

Activity (Go SEA)

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