UCSF

ZINC43979177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.13 9.64 -103.43 3 3 2 30 294.483 8
Hi High (pH 8-9.5) 4.13 8.79 -36.68 2 3 1 29 293.475 8
Mid Mid (pH 6-8) 4.13 8.64 -28.01 2 3 1 26 293.475 8

Activity (Go SEA)

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