UCSF

ZINC05833302

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.14 9.81 -37.94 1 2 1 14 282.835 6
Hi High (pH 8-9.5) 4.14 7.84 -3.5 0 2 0 12 281.827 6

Activity (Go SEA)

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