UCSF

ZINC37820455

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -0.69 -1.33 -51.71 5 7 1 109 293.413 7
Hi High (pH 8-9.5) -0.69 -1.7 -72.83 4 7 0 111 292.405 7

Activity (Go SEA)

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