UCSF

ZINC39039006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 13 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) -2.75 -6.51 -33.2 6 5 1 91 189.235 0
Lo Low (pH 4.5-6) -2.75 -6.44 -101 7 5 2 93 190.243 0

Activity (Go SEA)

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