UCSF

ZINC35822987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 12 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) -0.04 2.43 -88.66 4 3 2 46 167.256 4
Hi High (pH 8-9.5) -0.04 -0.48 -4.57 2 3 0 37 165.24 4
Mid Mid (pH 6-8) -0.04 0.97 -37.29 3 3 1 42 166.248 4

Activity (Go SEA)

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