UCSF

ZINC36996855

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.50 4.59 -36.15 3 4 1 49 351.268 2
Mid Mid (pH 6-8) 2.50 3.6 -5.66 2 4 0 44 350.26 2
Mid Mid (pH 6-8) 2.50 5.86 -32.6 3 4 1 46 351.268 2
Lo Low (pH 4.5-6) 2.50 6.88 -110.41 4 4 2 50 352.276 2

Activity (Go SEA)

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