UCSF

ZINC22030114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) 1.25 1.24 -4.26 2 4 0 45 278.396 6
Mid Mid (pH 6-8) 1.25 2.89 -42.38 3 4 1 49 279.404 6
Lo Low (pH 4.5-6) 1.25 3.52 -31.54 3 4 1 46 279.404 6

Activity (Go SEA)

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