UCSF

ZINC39308757

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 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) 3.03 8.71 -9.23 0 3 0 30 299.345 4
Lo Low (pH 4.5-6) 3.03 10.95 -32.22 1 3 1 31 300.353 4

Activity (Go SEA)

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