UCSF

ZINC29224879

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 24 No

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) -2.78 4.78 -37.59 1 6 1 51 334.44 6
Mid Mid (pH 6-8) -2.78 7.3 -108.4 2 6 2 52 335.448 6

Activity (Go SEA)

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