UCSF

ZINC33733387

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 3.21 7.47 -48.66 2 8 1 85 466.587 10
Mid Mid (pH 6-8) 3.21 5.23 -11.34 1 8 0 84 465.579 10

Activity (Go SEA)

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