UCSF

ZINC34610386

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) 3.70 7 -7.85 2 3 0 44 269.344 3
Lo Low (pH 4.5-6) 3.70 6.86 -47.82 3 3 1 46 270.352 3

Activity (Go SEA)

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