UCSF

ZINC37049749

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -1.39 -0.5 -47.39 3 5 1 60 216.305 5
Lo Low (pH 4.5-6) -1.39 1.71 -92.42 4 5 2 62 217.313 5

Activity (Go SEA)

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