UCSF

ZINC23373659

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 27 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) 0.62 0.58 -45.78 4 8 1 106 372.449 7
Mid Mid (pH 6-8) 0.62 0.53 -44.7 4 8 1 106 372.449 7
Mid Mid (pH 6-8) 0.62 -1.72 -11.99 3 8 0 105 371.441 7

Activity (Go SEA)

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