UCSF

ZINC36803953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 18 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) 3.39 8.56 -43.68 2 3 1 43 250.362 7
Hi High (pH 8-9.5) 3.39 7.45 -5.49 1 3 0 38 249.354 7

Activity (Go SEA)

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