UCSF

ZINC34664238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 3.40 6.27 -39.25 2 4 1 44 294.806 4
Hi High (pH 8-9.5) 3.40 4.83 -4.97 1 4 0 39 293.798 4

Activity (Go SEA)

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