UCSF

ZINC33823871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 29 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) 3.07 4.81 -11.91 1 7 0 67 401.507 8
Mid Mid (pH 6-8) 3.07 7.09 -44.34 2 7 1 68 402.515 8
Lo Low (pH 4.5-6) 3.07 7.68 -38.81 2 7 1 68 402.515 8

Activity (Go SEA)

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