UCSF

ZINC50454038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2010 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) 2.21 6.44 -2.85 2 3 0 38 208.305 6
Lo Low (pH 4.5-6) 2.21 5.55 -40.28 3 3 1 40 209.313 6

Activity (Go SEA)

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