UCSF

ZINC07052655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 18 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) 3.76 -3.22 -10.13 1 3 0 46 281.764 3
Hi High (pH 8-9.5) 3.76 -2.64 -45.11 0 3 -1 48 280.756 3

Activity (Go SEA)

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