UCSF

ZINC17353575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2008 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) 0.61 6.18 -13.35 1 6 0 75 211.221 4
Hi High (pH 8-9.5) 1.07 5.08 -42.98 0 6 -1 78 210.213 4

Activity (Go SEA)

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