UCSF

ZINC37029595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 1.33 4.07 -46.98 4 6 1 103 238.267 5
Hi High (pH 8-9.5) 1.33 3.78 -6.75 3 6 0 101 237.259 5

Activity (Go SEA)

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