UCSF

ZINC36937139

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 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) 4.87 9.62 -5.65 1 2 0 25 299.801 5
Lo Low (pH 4.5-6) 4.87 10.65 -43.4 2 2 1 30 300.809 5

Activity (Go SEA)

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