UCSF

ZINC16693447

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 34 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) 2.23 5.58 -16.94 1 9 0 90 469.538 9
Mid Mid (pH 6-8) 2.23 7.85 -53.13 2 9 1 91 470.546 9

Activity (Go SEA)

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