UCSF

ZINC21640062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 3.22 8.12 -8.12 0 5 0 41 338.455 5
Mid Mid (pH 6-8) 3.22 10.58 -41.59 1 5 1 43 339.463 5
Lo Low (pH 4.5-6) 3.22 8.34 -30.82 1 5 1 43 339.463 5

Activity (Go SEA)

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