UCSF

ZINC06165865

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 37 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) 2.69 -3.67 -57.95 2 9 1 108 528.651 9
Mid Mid (pH 6-8) 2.10 -3.83 -67.45 1 9 1 105 528.651 9

Activity (Go SEA)

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