UCSF

ZINC38525715

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) -1.71 9.49 -56.21 0 3 0 40 215.337 9
Lo Low (pH 4.5-6) -1.71 7.51 -32.41 1 3 1 37 216.345 9

Activity (Go SEA)

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