UCSF

ZINC37126729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.68 4.57 -44.14 3 5 1 66 253.37 6
Hi High (pH 8-9.5) 0.68 3.38 -12.73 2 5 0 61 252.362 6

Activity (Go SEA)

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