UCSF

ZINC08987071

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.72 11.97 -50.33 2 7 1 81 481.613 10
Mid Mid (pH 6-8) 3.69 12.61 -46.63 1 7 1 77 481.613 11

Activity (Go SEA)

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