UCSF

ZINC41585816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 5.25 9.94 -17.69 1 8 0 85 516.594 8
Hi High (pH 8-9.5) 5.25 10.71 -48.11 0 8 -1 87 515.586 8
Mid Mid (pH 6-8) 5.25 12.17 -58.25 2 8 1 86 517.602 8

Activity (Go SEA)

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