UCSF

ZINC09836131

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 19 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) 2.13 4.86 -13.17 2 5 0 72 294.405 3
Lo Low (pH 4.5-6) 2.13 5.14 -33.38 3 5 1 73 295.413 3
Lo Low (pH 4.5-6) 2.13 1.59 -32.32 3 5 1 73 295.413 3

Activity (Go SEA)

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