UCSF

ZINC04494284

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 24 No

Download: MOL2 SDF SMILES Flexibase

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) 4.51 9.63 -45.34 0 3 -1 52 324.444 3
Mid Mid (pH 6-8) 3.59 10.12 -9.06 1 3 0 46 325.452 2

Activity (Go SEA)

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