UCSF

ZINC11617064

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 28 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) -1.27 -13.18 -22.77 6 13 0 186 390.36 4
Lo Low (pH 4.5-6) -1.27 -12.94 -34.89 7 13 1 188 391.368 4
Lo Low (pH 4.5-6) -1.27 -12.96 -42.8 7 13 1 188 391.368 4

Activity (Go SEA)

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