UCSF

ZINC36754705

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.10 4.89 -42.77 3 5 1 65 265.362 2
Lo Low (pH 4.5-6) 0.10 5.22 -115.33 4 5 2 66 266.37 2

Activity (Go SEA)

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