UCSF

ZINC03532354

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 26 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) 3.62 7.73 -13.58 2 6 0 97 352.342 4
Hi High (pH 8-9.5) 3.62 8.73 -50.73 1 6 -1 100 351.334 4

Activity (Go SEA)

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