UCSF

ZINC37925887

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 18 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) 2.75 8.36 -36.85 1 3 1 31 248.346 6
Hi High (pH 8-9.5) 2.75 6.13 -6.99 0 3 0 30 247.338 6

Activity (Go SEA)

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