UCSF

ZINC11640032

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 20 No

Download: MOL2 SDF SMILES Flexibase

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) 3.40 6.38 -8.99 1 4 0 58 281.34 2
Ref Reference (pH 7) 2.91 5.89 -41.92 0 4 -1 57 280.332 3

Activity (Go SEA)

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