UCSF

ZINC14978679

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 25 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) 2.05 6.76 -40.53 2 5 1 46 346.495 5
Lo Low (pH 4.5-6) 2.05 6.57 -39.65 2 5 1 46 346.495 5

Activity (Go SEA)

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