UCSF

ZINC37812333

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 Yes

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) 0.11 1.06 -39.65 5 7 1 117 274.341 9
Hi High (pH 8-9.5) 0.11 0.41 -13.3 4 7 0 116 273.333 9

Activity (Go SEA)

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