UCSF

ZINC41585688

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 36 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) 5.70 11.92 -48.37 2 6 1 67 509.985 5
Hi High (pH 8-9.5) 5.70 10.47 -44.64 0 6 -1 69 507.969 5
Mid Mid (pH 6-8) 5.70 12.68 -30.88 1 6 0 70 508.977 5
Mid Mid (pH 6-8) 5.70 9.7 -11.54 1 6 0 66 508.977 5

Activity (Go SEA)

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