UCSF

ZINC38559785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 30 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) -1.06 6.6 -81.98 4 11 0 172 422.438 11
Hi High (pH 8-9.5) -1.06 6.31 -63.8 3 11 -1 171 421.43 11

Activity (Go SEA)

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