UCSF

ZINC36637245

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 24 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) 0.19 4.91 -58.39 2 9 1 97 354.46 6
Mid Mid (pH 6-8) 0.19 2.54 -18.75 1 9 0 96 353.452 6

Activity (Go SEA)

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