UCSF

ZINC36874842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 0.27 5.16 -37.38 5 4 1 74 290.431 6
Mid Mid (pH 6-8) 0.27 5.53 -133.06 6 4 2 75 291.439 6
Mid Mid (pH 6-8) 0.27 3.77 -46.49 5 4 1 74 290.431 6

Activity (Go SEA)

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