UCSF

ZINC08015380

Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2006 28 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 6.08 -19.31 1 7 0 94 418.906 5
Hi High (pH 8-9.5) 2.36 5.7 -42.71 0 7 -1 96 417.898 5

Activity (Go SEA)

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