UCSF

ZINC57127337

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2011 27 Yes

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) 2.59 8.83 -42.91 2 5 1 48 366.485 4
Hi High (pH 8-9.5) 2.59 6.78 -13.08 1 5 0 47 365.477 4

Activity (Go SEA)

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