UCSF

ZINC41584733

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 No

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) 3.86 11.81 -57.78 2 7 1 86 485.56 4
Hi High (pH 8-9.5) 3.86 10.25 -50.18 0 7 -1 88 483.544 4
Mid Mid (pH 6-8) 3.86 9.67 -24.18 1 7 0 85 484.552 4
Mid Mid (pH 6-8) 3.86 12.39 -33.54 1 7 0 89 484.552 4

Activity (Go SEA)

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