UCSF

ZINC07122443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2006 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 4.65 6.98 -17.17 2 5 0 75 391.493 7
Mid Mid (pH 6-8) 5.11 5.74 -44.09 1 5 -1 78 390.485 7

Activity (Go SEA)

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