UCSF

ZINC05479304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 38 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) 4.52 -3.56 -11.5 2 7 0 89 511.622 9
Mid Mid (pH 6-8) 4.70 -3.97 -11.57 2 7 0 89 511.622 9

Activity (Go SEA)

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