UCSF

ZINC29059260

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 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) 3.82 9.87 -140.71 0 6 -2 107 374.348 3
Mid Mid (pH 6-8) 3.82 9.21 -61.97 1 6 -1 104 375.356 3
Lo Low (pH 4.5-6) 3.82 8.56 -32.98 2 6 0 101 376.364 3

Activity (Go SEA)

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