UCSF

ZINC05315722

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 3.23 9.09 -36.74 3 5 1 66 323.457 13
Hi High (pH 8-9.5) 3.23 6.55 -7.51 2 5 0 65 322.449 13

Activity (Go SEA)

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