UCSF

ZINC41570488

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) 2.07 5.5 -10.61 2 6 0 84 293.348 5
Hi High (pH 8-9.5) 2.14 3.8 -41.27 1 6 -1 90 292.34 5

Activity (Go SEA)

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