UCSF

ZINC41570494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 1.97 5.35 -10.41 2 6 0 84 291.332 6
Hi High (pH 8-9.5) 2.04 3.65 -40.77 1 6 -1 90 290.324 6

Activity (Go SEA)

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