UCSF

ZINC39682844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 34 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) -0.50 6.37 -93.18 3 10 0 132 473.574 8
Lo Low (pH 4.5-6) -0.50 6.88 -113.06 4 10 1 133 474.582 8

Activity (Go SEA)

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