UCSF

ZINC09651278

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.80 -2.66 -16.92 2 6 0 83 370.409 6
Lo Low (pH 4.5-6) 1.80 -2.61 -46.36 3 6 1 85 371.417 6

Activity (Go SEA)

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