UCSF

ZINC04989853

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 16 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) 3.23 8.79 -33.76 1 2 1 14 220.336 4
Hi High (pH 8-9.5) 3.23 6.38 -2.8 0 2 0 12 219.328 4

Activity (Go SEA)

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