UCSF

ZINC36161367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 15 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) 0.65 1.22 -14.85 0 4 0 61 228.317 1
Lo Low (pH 4.5-6) 0.65 3.45 -62.75 1 4 1 62 229.325 1

Activity (Go SEA)

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