UCSF

ZINC36160362

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 0.05 0.59 -62.57 3 5 1 74 285.389 4
Lo Low (pH 4.5-6) 0.05 1.54 -148.18 4 5 2 75 286.397 4

Activity (Go SEA)

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