UCSF

ZINC43909949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.71 9.88 -113.28 3 2 2 21 262.441 5
Hi High (pH 8-9.5) 3.71 8.84 -30.79 2 2 1 16 261.433 5
Hi High (pH 8-9.5) 3.71 7.99 -33.42 2 2 1 20 261.433 5

Activity (Go SEA)

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