UCSF

ZINC52213560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 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) 0.07 2.33 -14.4 4 6 0 97 263.297 5
Lo Low (pH 4.5-6) 0.07 2.28 -43.15 5 6 1 99 264.305 5

Activity (Go SEA)

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