UCSF

ZINC33698181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.77 6.74 -9.83 1 6 0 68 366.417 2
Mid Mid (pH 6-8) 0.77 8.57 -57.71 2 6 1 69 367.425 2

Activity (Go SEA)

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