UCSF

ZINC37383948

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 2.14 8.83 -49.6 0 5 -1 78 290.339 7
Lo Low (pH 4.5-6) 2.14 6.85 -10.9 1 5 0 75 291.347 7

Activity (Go SEA)

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