UCSF

ZINC33819073

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 35 No

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) 6.36 12.49 -40.96 2 9 1 99 519.409 7
Mid Mid (pH 6-8) 6.36 11.39 -21.45 1 9 0 97 518.401 7
Mid Mid (pH 6-8) 6.36 13.16 -94.4 3 9 2 100 520.417 7

Activity (Go SEA)

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