UCSF

ZINC37842518

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 1.07 4.57 -10.78 0 4 0 50 288.8 7
Lo Low (pH 4.5-6) 1.07 5.03 -49.65 1 4 1 52 289.808 7

Activity (Go SEA)

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