UCSF

ZINC28761889

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 23 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) 2.46 10.79 -7.54 0 4 0 34 304.397 4
Lo Low (pH 4.5-6) 2.46 13.07 -36.97 1 4 1 35 305.405 4

Activity (Go SEA)

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