UCSF

ZINC20091482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.77 5.09 -3.12 1 3 0 24 296.842 7
Mid Mid (pH 6-8) 2.77 6.36 -48.8 2 3 1 29 297.85 7
Lo Low (pH 4.5-6) 2.77 7.42 -39.53 2 3 1 26 297.85 7

Activity (Go SEA)

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