UCSF

ZINC20483804

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.83 0.93 -15.82 3 5 0 85 220.257 2
Mid Mid (pH 6-8) 1.29 -0.12 -52.34 2 5 -1 88 219.249 2
Mid Mid (pH 6-8) 0.83 1.54 -24.72 3 5 0 85 220.257 2

Activity (Go SEA)

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