UCSF

ZINC42171836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 19 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) 1.09 8.7 -111.71 3 5 2 50 263.389 4
Mid Mid (pH 6-8) 1.09 6.47 -41.41 2 5 1 49 262.381 4

Activity (Go SEA)

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