UCSF

ZINC37100815

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 Yes

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) 3.60 7.22 -32.85 2 2 1 29 235.395 5
Lo Low (pH 4.5-6) 3.60 7.81 -92.34 3 2 2 31 236.403 5

Activity (Go SEA)

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