UCSF

ZINC12749151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 30 No

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) 5.28 13.24 -52.63 1 6 -1 73 458.658 8
Hi High (pH 8-9.5) 5.46 12.03 -92.1 0 6 -2 79 457.65 8

Activity (Go SEA)

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