UCSF

ZINC43442056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 1.43 2.86 -16.33 1 7 0 90 290.323 7
Mid Mid (pH 6-8) 1.43 4.02 -44.77 2 7 1 95 291.331 7
Lo Low (pH 4.5-6) 1.43 4.59 -88.27 3 7 2 96 292.339 7

Activity (Go SEA)

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