UCSF

ZINC36273186

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 Yes

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) 2.64 10.39 -40.63 3 6 1 68 378.5 5
Mid Mid (pH 6-8) 2.64 9.36 -16.38 2 6 0 67 377.492 5
Mid Mid (pH 6-8) 2.64 10.75 -90.3 4 6 2 69 379.508 5

Activity (Go SEA)

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