UCSF

ZINC37140973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.24 4.48 -38.55 3 4 1 49 351.268 3
Mid Mid (pH 6-8) 2.24 5.91 -36.9 3 4 1 46 351.268 3
Mid Mid (pH 6-8) 2.24 3.51 -5.97 2 4 0 44 350.26 3
Lo Low (pH 4.5-6) 2.24 6.86 -106.77 4 4 2 50 352.276 3

Activity (Go SEA)

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