UCSF

ZINC06677796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2006 12 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) 0.38 4.82 -44.83 0 4 -1 58 167.188 3
Mid Mid (pH 6-8) 0.38 5.29 -40.2 1 4 0 59 168.196 3

Activity (Go SEA)

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