UCSF

ZINC50507134

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 20 Yes

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) 2.92 6.49 -7.99 3 4 0 64 290.75 5
Lo Low (pH 4.5-6) 2.92 6.34 -48.51 4 4 1 66 291.758 5

Activity (Go SEA)

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