UCSF

ZINC16898071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 31 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) 5.13 8.62 -54.98 1 6 -1 95 448.549 6
Mid Mid (pH 6-8) 4.67 10.13 -16.86 2 6 0 92 449.557 6
Mid Mid (pH 6-8) 4.67 9.88 -21.72 2 6 0 92 449.557 6

Activity (Go SEA)

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