UCSF

ZINC22143989

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 15 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) 2.43 4.77 -39.58 2 2 1 20 276.173 5
Hi High (pH 8-9.5) 2.43 3.34 -2.53 1 2 0 15 275.165 5
Mid Mid (pH 6-8) 2.43 5.89 -35.66 2 2 1 16 276.173 5
Mid Mid (pH 6-8) 2.43 7.19 -112.07 3 2 2 21 277.181 5

Activity (Go SEA)

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