UCSF

ZINC25421137

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 23 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) 0.93 5.61 -38.54 2 6 1 63 320.413 7
Hi High (pH 8-9.5) 0.93 3.02 -8.67 1 6 0 62 319.405 7

Activity (Go SEA)

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