UCSF

ZINC37997493

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 3.83 10.43 -108.68 3 2 2 21 282.859 6
Hi High (pH 8-9.5) 3.83 8.49 -43.45 2 2 1 20 281.851 6

Activity (Go SEA)

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