UCSF

ZINC19848967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 23 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) -1.01 0.39 -17.74 2 7 0 87 316.361 4
Ref Reference (pH 7) -1.01 0.41 -17.68 2 7 0 87 316.361 4
Lo Low (pH 4.5-6) -1.01 4.56 -135.76 4 7 2 89 318.377 4
Lo Low (pH 4.5-6) -1.01 2.39 -60.24 3 7 1 88 317.369 4
Lo Low (pH 4.5-6) -1.01 2.61 -52.31 3 7 1 88 317.369 4
Lo Low (pH 4.5-6) -1.01 2.59 -52.24 3 7 1 88 317.369 4

Activity (Go SEA)

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