UCSF

ZINC39898620

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 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) 4.72 8.03 -10.15 2 5 0 69 400.265 4
Mid Mid (pH 6-8) 4.72 8.11 -11.54 2 5 0 69 400.265 4

Activity (Go SEA)

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