UCSF

ZINC44277170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) 3.23 11.43 -44.61 2 4 1 37 324.448 6
Hi High (pH 8-9.5) 3.23 8.94 -8.92 1 4 0 36 323.44 6

Activity (Go SEA)

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