UCSF

ZINC19609120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.26 6.56 -33.26 1 2 1 8 241.305 3
Mid Mid (pH 6-8) 2.26 6.57 -35.22 1 2 1 8 241.305 3
Mid Mid (pH 6-8) 2.26 4.25 -3.09 0 2 0 6 240.297 3

Activity (Go SEA)

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