UCSF

ZINC43357686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.28 9.34 -10.9 1 5 0 45 367.493 5
Mid Mid (pH 6-8) 3.28 11.58 -51.07 2 5 1 46 368.501 5

Activity (Go SEA)

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