UCSF

ZINC19536166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 18 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) 2.44 6.96 -37.04 1 3 1 17 249.378 3
Mid Mid (pH 6-8) 2.44 6.58 -36.08 1 3 1 17 249.378 3
Mid Mid (pH 6-8) 2.44 4.49 -3.93 0 3 0 16 248.37 3

Activity (Go SEA)

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