UCSF

ZINC37998089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 15 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) -0.11 2.78 -44.58 2 4 1 48 209.269 4
Hi High (pH 8-9.5) -0.11 1.42 -6.02 1 4 0 43 208.261 4

Activity (Go SEA)

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