UCSF

ZINC36331141

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 42 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) 4.44 12.92 -20.92 1 10 0 134 583.678 9
Lo Low (pH 4.5-6) 4.44 13.39 -53.56 2 10 1 136 584.686 9

Activity (Go SEA)

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