UCSF

ZINC07055090

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 2.87 -7.71 -13.98 1 6 0 83 392.502 6
Hi High (pH 8-9.5) 2.87 -7.13 -46.12 0 6 -1 85 391.494 6

Activity (Go SEA)

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