UCSF

ZINC23288000

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 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) -1.28 -1.39 -12.85 2 6 0 70 254.334 4
Lo Low (pH 4.5-6) -1.28 0.82 -38.53 3 6 1 71 255.342 4
Lo Low (pH 4.5-6) -1.28 0.83 -39.38 3 6 1 71 255.342 4

Activity (Go SEA)

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