UCSF

ZINC11881801

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 31 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) 1.53 -0.54 -61.54 2 8 1 90 417.493 5
Lo Low (pH 4.5-6) 1.53 -0.44 -116.01 3 8 2 92 418.501 5

Activity (Go SEA)

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