UCSF

ZINC35721586

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.55 3.05 -59.07 1 6 -1 82 285.364 7
Mid Mid (pH 6-8) 0.55 5.33 -74.38 2 6 0 83 286.372 7
Lo Low (pH 4.5-6) 0.55 3.37 -48.81 3 6 1 80 287.38 7

Activity (Go SEA)

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