UCSF

ZINC60474224

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 18 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) 2.37 9.47 -37.68 1 2 1 17 239.342 3
Mid Mid (pH 6-8) 2.37 7.19 -5.45 0 2 0 16 238.334 3

Activity (Go SEA)

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