UCSF

ZINC36937577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 5.12 9.92 -4.91 1 1 0 12 309.787 5
Lo Low (pH 4.5-6) 5.12 10.8 -48.13 2 1 1 17 310.795 5

Activity (Go SEA)

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