UCSF

ZINC37820347

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) 1.59 5.96 -41.77 2 5 1 63 266.365 5
Hi High (pH 8-9.5) 1.59 4.77 -13.38 1 5 0 58 265.357 5

Activity (Go SEA)

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