UCSF

ZINC31909237

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 1.53 7.09 -68.76 1 6 0 65 322.796 4
Mid Mid (pH 6-8) 1.53 4.62 -56.64 0 6 -1 64 321.788 4
Mid Mid (pH 6-8) 1.53 7 -49.15 1 6 0 65 322.796 4
Lo Low (pH 4.5-6) 1.53 7.5 -72.44 2 6 1 66 323.804 4

Activity (Go SEA)

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