UCSF

ZINC37819892

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) 1.60 6.75 -40.5 2 5 1 57 296.435 4
Hi High (pH 8-9.5) 1.60 5.52 -14.32 1 5 0 53 295.427 4

Activity (Go SEA)

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