UCSF

ZINC37083366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 2.60 6.61 -6.87 1 3 0 32 272.392 2
Lo Low (pH 4.5-6) 2.60 7.91 -38.16 2 3 1 37 273.4 2

Activity (Go SEA)

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