UCSF

ZINC31350151

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 15 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) -0.62 2.69 -62.84 3 4 -1 91 277.069 3
Mid Mid (pH 6-8) -0.62 1.93 -37.63 4 4 0 88 278.077 3

Activity (Go SEA)

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