UCSF

ZINC36272352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 3.24 9.53 -38.86 3 5 1 57 337.447 5
Hi High (pH 8-9.5) 3.24 7.23 -13.05 2 5 0 56 336.439 5
Mid Mid (pH 6-8) 3.24 10.03 -80.98 4 5 2 58 338.455 5

Activity (Go SEA)

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