UCSF

ZINC07323496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 22 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) 2.61 5.5 -13.48 1 6 0 96 316.338 5
Hi High (pH 8-9.5) 2.61 5.58 -36.13 0 6 -1 98 315.33 5

Activity (Go SEA)

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