UCSF

ZINC41681625

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 2.61 6.36 -35.79 2 3 1 20 276.448 7
Mid Mid (pH 6-8) 2.61 7 -37.38 2 3 1 20 276.448 7
Mid Mid (pH 6-8) 2.61 8.82 -115.69 3 3 2 21 277.456 7

Activity (Go SEA)

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