UCSF

ZINC20093194

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.36 6.22 -57.02 3 3 1 46 275.397 5
Hi High (pH 8-9.5) 2.36 4.8 -13.26 2 3 0 41 274.389 5

Activity (Go SEA)

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