UCSF

ZINC37815153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.99 5.47 -44.17 2 5 1 57 270.397 5
Hi High (pH 8-9.5) 0.99 4.27 -10.38 1 5 0 53 269.389 5

Activity (Go SEA)

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