UCSF

ZINC41658811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 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) 2.23 5.24 -8.33 0 5 0 56 322.364 2
Mid Mid (pH 6-8) 2.23 8.22 -44.43 1 5 1 57 323.372 2
Lo Low (pH 4.5-6) 2.23 8.7 -97.14 2 5 2 58 324.38 2

Activity (Go SEA)

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