UCSF

ZINC06416049

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 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) 2.40 5.78 -11.99 1 5 0 83 287.344 3
Hi High (pH 8-9.5) 2.40 5.84 -40.41 0 5 -1 85 286.336 3
Lo Low (pH 4.5-6) 2.40 5.96 -36.83 2 5 1 84 288.352 3

Activity (Go SEA)

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