UCSF

ZINC16892667

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 36 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) 6.34 10.49 -25.67 3 7 0 104 520.68 8
Hi High (pH 8-9.5) 6.80 9.27 -58.91 2 7 -1 107 519.672 8

Activity (Go SEA)

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