UCSF

ZINC38104992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 19 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) 1.54 7.45 -14.79 0 3 0 33 258.296 4
Lo Low (pH 4.5-6) 1.54 7.91 -41.2 1 3 1 34 259.304 4

Activity (Go SEA)

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