UCSF

ZINC34160809

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2009 13 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) 2.75 6.84 -5.77 0 1 0 13 169.227 2
Lo Low (pH 4.5-6) 2.75 7.29 -28.45 1 1 1 14 170.235 2

Activity (Go SEA)

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