UCSF

ZINC31308548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 12 No

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) -0.16 3.76 -60.57 5 5 0 106 173.216 6
Lo Low (pH 4.5-6) -0.16 1.78 -35.08 6 5 1 103 174.224 6

Activity (Go SEA)

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