UCSF

ZINC36991866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 19 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) 4.47 9.51 -50.06 2 2 1 40 291.827 4
Mid Mid (pH 6-8) 4.47 8.58 -6.27 1 2 0 36 290.819 4

Activity (Go SEA)

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