UCSF

ZINC49451033

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 20 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) 1.97 5.12 -10.83 1 5 0 58 273.336 4
Hi High (pH 8-9.5) 1.97 5.89 -55.36 0 5 -1 61 272.328 4

Activity (Go SEA)

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