UCSF

ZINC41106731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.02 1.18 -14.94 1 6 0 62 269.345 6
Mid Mid (pH 6-8) 0.02 3.31 -48.35 2 6 1 63 270.353 6

Activity (Go SEA)

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