UCSF

ZINC28227503

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 17 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) 2.51 6.86 -40.15 4 2 1 43 227.331 4
Hi High (pH 8-9.5) 2.51 5.59 -5.05 3 2 0 38 226.323 4

Activity (Go SEA)

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