UCSF

ZINC41540418

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 1.25 4.13 -19.41 2 7 0 91 346.412 5
Hi High (pH 8-9.5) 1.07 2.78 -48.37 1 7 -1 98 345.404 5

Activity (Go SEA)

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