UCSF

ZINC04255129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 17 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) 2.58 1.82 -12.69 1 5 0 56 251.287 0
Mid Mid (pH 6-8) 2.58 2.75 -10.69 0 5 0 53 250.279 0

Activity (Go SEA)

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