UCSF

ZINC36385866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 26 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) 1.37 8.67 -16.23 0 6 0 71 355.438 4
Ref Reference (pH 7) 1.37 8.6 -14.64 0 6 0 71 355.438 4
Lo Low (pH 4.5-6) 1.37 9.07 -36.46 1 6 1 72 356.446 4
Lo Low (pH 4.5-6) 1.37 9.14 -37.48 1 6 1 72 356.446 4

Activity (Go SEA)

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