UCSF

ZINC37490824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 1.26 2.77 -28.29 2 3 1 28 213.345 1
Lo Low (pH 4.5-6) 1.26 5.17 -100.88 3 3 2 29 214.353 1

Activity (Go SEA)

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