UCSF

ZINC06278673

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 23 No

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) 4.38 9.44 -19.29 1 6 0 88 347.783 3
Hi High (pH 8-9.5) 4.44 7.83 -45.7 0 6 -1 94 346.775 3

Activity (Go SEA)

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