UCSF

ZINC37820497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -1.69 -3.4 -51.2 5 8 1 112 320.439 5
Hi High (pH 8-9.5) -1.69 -4.77 -17.36 4 8 0 108 319.431 5

Activity (Go SEA)

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