UCSF

ZINC21727730

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) 4.77 13.68 -13.28 0 4 0 43 334.398 3
Mid Mid (pH 6-8) 4.78 15.03 -47.76 2 4 1 47 335.406 3
Lo Low (pH 4.5-6) 4.77 14 -36.9 1 4 1 45 335.406 3

Activity (Go SEA)

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