UCSF

ZINC34986824

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 3.69 10.07 -36.85 1 1 1 4 234.338 2
Hi High (pH 8-9.5) 3.69 7.76 -2.31 0 1 0 3 233.33 2

Activity (Go SEA)

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