UCSF

ZINC35017699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 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) -0.12 1.94 -89.96 2 10 0 132 453.496 5
Mid Mid (pH 6-8) -0.12 -0.3 -61.94 1 10 -1 131 452.488 5
Mid Mid (pH 6-8) -0.12 -0.93 -18.86 2 10 0 128 453.496 5
Lo Low (pH 4.5-6) -0.12 4.97 -74.45 3 10 1 134 454.504 5
Lo Low (pH 4.5-6) -0.12 2.99 -109.98 4 10 2 131 455.512 5

Activity (Go SEA)

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