UCSF

ZINC34560057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 2.77 5.41 -9.71 0 2 0 22 187.242 1
Lo Low (pH 4.5-6) 2.77 5.85 -23.59 1 2 1 23 188.25 1

Activity (Go SEA)

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