UCSF

ZINC62349628

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 22 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) 2.16 5.79 -73.34 2 6 0 91 326.418 6
Hi High (pH 8-9.5) 2.16 3.59 -52.76 1 6 -1 90 325.41 6

Activity (Go SEA)

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