UCSF

ZINC07032322

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2006 22 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) 1.98 7.44 -10.41 0 7 0 98 297.27 4
Lo Low (pH 4.5-6) 1.98 7.71 -39.81 1 7 1 99 298.278 4

Activity (Go SEA)

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