UCSF

ZINC06730353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 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) 3.02 -3.93 -17.17 1 6 0 75 372.446 5
Hi High (pH 8-9.5) 3.02 -3.35 -51.37 0 6 -1 77 371.438 5

Activity (Go SEA)

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