UCSF

ZINC46598433

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2010 19 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) 0.59 4.92 -35.14 1 5 1 37 272.413 7
Hi High (pH 8-9.5) 0.59 3.02 -9.61 0 5 0 36 271.405 7
Lo Low (pH 4.5-6) 0.59 7.21 -106.05 2 5 2 38 273.421 7

Activity (Go SEA)

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