UCSF

ZINC41538074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.10 7.9 -10.26 0 3 0 33 274.751 4
Lo Low (pH 4.5-6) 2.10 8.36 -38.37 1 3 1 34 275.759 4

Activity (Go SEA)

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