UCSF

ZINC28759291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 17 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) 4.22 6.66 -6.69 1 2 0 37 226.275 3
Hi High (pH 8-9.5) 4.22 7.35 -48.92 0 2 -1 40 225.267 3

Activity (Go SEA)

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