UCSF

ZINC34939642

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 1.51 8.14 -52.38 3 2 1 37 266.364 2
Hi High (pH 8-9.5) 1.51 7.8 -6.65 2 2 0 35 265.356 2

Activity (Go SEA)

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