UCSF

ZINC37874924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 17 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) 1.84 2.85 -42.28 3 4 1 46 259.757 6
Hi High (pH 8-9.5) 1.84 0.31 -6.29 2 4 0 45 258.749 6

Activity (Go SEA)

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