UCSF

ZINC28761317

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 4.72 11.73 -32.15 1 2 1 8 321.488 5
Mid Mid (pH 6-8) 4.72 11.25 -29.02 1 2 1 8 321.488 5
Mid Mid (pH 6-8) 4.72 9.5 -2.05 0 2 0 6 320.48 5

Activity (Go SEA)

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