UCSF

ZINC09228252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 36 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) 1.61 3.85 -63.85 6 13 -1 201 498.52 10
Lo Low (pH 4.5-6) 1.61 -11.35 -75.4 7 13 0 201 499.528 10
Lo Low (pH 4.5-6) 1.61 -11.39 -75.96 7 13 0 201 499.528 10

Activity (Go SEA)

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