UCSF

ZINC36869208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.08 6.34 -14.77 2 5 0 68 293.392 5
Lo Low (pH 4.5-6) 2.08 6.78 -38.86 3 5 1 70 294.4 5

Activity (Go SEA)

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