UCSF

ZINC20968142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 29 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) 5.02 13.73 -126.54 3 4 2 40 419.009 10
Hi High (pH 8-9.5) 5.02 12.43 -42.69 2 4 1 35 418.001 10
Lo Low (pH 4.5-6) 5.02 11.33 -51.06 2 4 1 38 418.001 10

Activity (Go SEA)

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