UCSF

ZINC06015184

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2006 30 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) 4.47 10.34 -51.05 0 6 -1 86 422.461 5
Mid Mid (pH 6-8) 4.47 1.97 -13.67 1 6 0 83 423.469 5

Activity (Go SEA)

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