UCSF

ZINC42539499

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 24 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) 1.43 6.19 -38.54 2 6 1 57 341.52 9
Mid Mid (pH 6-8) 1.43 6.13 -36.75 2 6 1 57 341.52 9
Mid Mid (pH 6-8) 1.43 3.94 -11.22 1 6 0 56 340.512 9

Activity (Go SEA)

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