UCSF

ZINC07505225

Substance Information

In ZINC since Heavy atoms Benign functionality
May 31st, 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) 2.43 -1.94 -17.05 1 5 0 80 317.366 5
Hi High (pH 8-9.5) 2.43 -1.51 -58.4 0 5 -1 82 316.358 5

Activity (Go SEA)

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