UCSF

ZINC34991780

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 2.44 5.98 -45.37 2 4 1 44 331.23 9
Hi High (pH 8-9.5) 2.44 4.63 -7.32 1 4 0 40 330.222 9

Activity (Go SEA)

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