UCSF

ZINC35836410

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 35 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) 4.92 16.29 -13.47 0 6 0 53 487.57 4
Lo Low (pH 4.5-6) 4.92 16.76 -34.29 1 6 1 54 488.578 4
Lo Low (pH 4.5-6) 4.92 16.73 -36.23 1 6 1 54 488.578 4

Activity (Go SEA)

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