UCSF

ZINC35017577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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 -0.11 -18.03 2 11 0 132 482.538 7
Mid Mid (pH 6-8) -0.12 0.51 -56.3 1 11 -1 134 481.53 7
Lo Low (pH 4.5-6) -0.12 1.59 -44.38 3 11 1 133 483.546 7

Activity (Go SEA)

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