UCSF

ZINC43968937

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 2.37 9.05 -113.36 3 3 2 34 263.429 7
Hi High (pH 8-9.5) 2.37 7.17 -36.76 2 3 1 33 262.421 7
Mid Mid (pH 6-8) 2.37 8.61 -34.89 2 3 1 29 262.421 7

Activity (Go SEA)

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