UCSF

ZINC37811650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -1.46 1.77 -39.98 3 6 1 77 260.358 7
Hi High (pH 8-9.5) -1.46 1.45 -13.08 2 6 0 76 259.35 7

Activity (Go SEA)

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