UCSF

ZINC34594237

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 4.29 9.7 -93.37 3 3 2 29 332.532 6
Hi High (pH 8-9.5) 4.29 7.62 -32.65 2 3 1 28 331.524 6

Activity (Go SEA)

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