UCSF

ZINC31992707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -2.14 -1.99 -8.42 2 6 0 76 227.264 3
Mid Mid (pH 6-8) -2.14 -1.66 -60.69 3 6 1 77 228.272 3
Lo Low (pH 4.5-6) -2.14 0.68 -108.49 4 6 2 79 229.28 3

Activity (Go SEA)

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