UCSF

ZINC06785109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 31 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) 3.65 12.44 -45.02 2 5 1 62 423.508 8
Mid Mid (pH 6-8) 3.07 12.95 -45.62 1 5 1 59 423.508 9

Activity (Go SEA)

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