UCSF

ZINC37850257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.30 -1.4 -61.88 3 5 1 80 252.356 6
Hi High (pH 8-9.5) -0.30 -2.61 -14.9 2 5 0 76 251.348 6

Activity (Go SEA)

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