UCSF

ZINC37815560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.33 1.36 -44.52 3 6 1 83 299.269 7
Hi High (pH 8-9.5) -0.33 -0.02 -11.61 2 6 0 79 298.261 7

Activity (Go SEA)

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