UCSF

ZINC43260091

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 24 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) 3.47 11.52 -48.59 0 4 -1 74 325.384 6
Lo Low (pH 4.5-6) 3.47 9.55 -9.32 1 4 0 71 326.392 6
Lo Low (pH 4.5-6) 3.47 9.54 -8.8 1 4 0 71 326.392 6

Activity (Go SEA)

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