UCSF

ZINC16896604

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) 6.67 11.05 -22.07 2 5 0 75 470.019 6
Hi High (pH 8-9.5) 7.12 9.82 -56.94 1 5 -1 78 469.011 6

Activity (Go SEA)

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