UCSF

ZINC19483229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -1.45 2.33 -50.37 5 5 1 91 276.36 4
Hi High (pH 8-9.5) -1.45 2 -16.74 4 5 0 89 275.352 4

Activity (Go SEA)

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