UCSF

ZINC04350544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 23 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) 5.36 11.16 -50.51 3 2 1 32 325.863 4
Mid Mid (pH 6-8) 5.36 9.87 -4.64 2 2 0 28 324.855 4

Activity (Go SEA)

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