UCSF

ZINC36273393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 3.25 8.97 -40.17 3 5 1 57 325.436 5
Hi High (pH 8-9.5) 3.25 6.34 -10.46 2 5 0 56 324.428 5
Mid Mid (pH 6-8) 3.25 7 -25.86 3 5 1 57 325.436 5
Mid Mid (pH 6-8) 3.25 9.45 -89.24 4 5 2 58 326.444 5

Activity (Go SEA)

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