UCSF

ZINC08548052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 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) 2.08 6.04 -14.36 1 7 0 89 336.446 4
Hi High (pH 8-9.5) 2.54 4.69 -42.11 0 7 -1 92 335.438 4

Activity (Go SEA)

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