UCSF

ZINC12524287

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 28 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) 5.41 13.38 -9.51 0 3 0 24 374.528 4
Lo Low (pH 4.5-6) 5.41 14.19 -37.92 1 3 0 25 375.536 4
Lo Low (pH 4.5-6) 5.41 14.18 -32.4 1 3 0 25 375.536 4

Activity (Go SEA)

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