UCSF

ZINC09707495

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 33 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) 4.68 1.56 -9.6 0 8 0 77 487.322 3
Mid Mid (pH 6-8) 4.68 1.76 -29.73 1 8 1 78 488.33 3

Activity (Go SEA)

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