UCSF

ZINC27101785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2009 37 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) -5.16 8.47 -196.26 2 16 -3 255 525.447 19
Hi High (pH 8-9.5) -5.16 8.79 -188.56 2 16 -3 259 525.447 19
Lo Low (pH 4.5-6) -5.16 10.11 -136.28 3 16 -2 260 526.455 19
Lo Low (pH 4.5-6) -5.16 12.75 -169.47 2 16 -3 259 525.447 19

Activity (Go SEA)

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