UCSF

ZINC33708907

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 27 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) 3.68 9.28 -11.59 1 5 0 45 367.493 7
Mid Mid (pH 6-8) 3.68 11.55 -44.63 2 5 1 46 368.501 7

Activity (Go SEA)

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