UCSF

ZINC35429562

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) 1.09 5.38 -114.86 4 4 2 49 224.333 2
Hi High (pH 8-9.5) 1.09 4.39 -10.5 2 4 0 47 222.317 2

Activity (Go SEA)

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