UCSF

ZINC39227871

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 35 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) 5.27 9.17 -9.78 1 6 0 56 474.532 5
Mid Mid (pH 6-8) 5.27 11.3 -33.23 2 6 1 57 475.54 5

Activity (Go SEA)

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