UCSF

ZINC19788030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 23 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) 4.60 11.35 -40.35 1 2 1 8 329.895 5
Mid Mid (pH 6-8) 4.60 11.29 -36.95 1 2 1 8 329.895 5
Mid Mid (pH 6-8) 4.60 8.97 -3.37 0 2 0 6 328.887 5

Activity (Go SEA)

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