UCSF

ZINC21639651

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 4.56 11.03 -7.96 1 4 0 41 368.843 4
Lo Low (pH 4.5-6) 4.56 13.44 -50.94 2 4 1 42 369.851 4

Activity (Go SEA)

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