UCSF

ZINC44224156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 26 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) -0.22 0.04 -19.85 5 10 0 152 354.326 3
Mid Mid (pH 6-8) 0.24 -2.47 -55.39 4 10 -1 155 353.318 3

Activity (Go SEA)

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