UCSF

ZINC41514709

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 34 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) 6.12 14.6 -49.19 2 4 1 55 448.542 6
Hi High (pH 8-9.5) 6.12 13.03 -44.54 0 4 -1 57 446.526 6
Mid Mid (pH 6-8) 6.12 12.27 -9.56 1 4 0 54 447.534 6
Mid Mid (pH 6-8) 6.12 15.37 -31.74 1 4 0 58 447.534 6

Activity (Go SEA)

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