UCSF

ZINC12467389

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 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) 5.28 0.63 -9.33 0 4 0 47 385.492 5
Lo Low (pH 4.5-6) 5.28 12.82 -47.12 1 4 1 49 386.5 5

Activity (Go SEA)

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