UCSF

ZINC35815463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 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) 2.80 7.1 -25.87 2 8 0 101 487.409 11
Hi High (pH 8-9.5) 2.62 5.77 -53.92 1 8 -1 107 486.401 11

Activity (Go SEA)

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