UCSF

ZINC09409765

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 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) 5.90 8.57 -9.89 2 5 0 67 424.859 6
Hi High (pH 8-9.5) 5.90 9.35 -53.92 1 5 -1 70 423.851 6
Hi High (pH 8-9.5) 5.90 9.36 -42.54 1 5 -1 70 423.851 6

Activity (Go SEA)

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