UCSF

ZINC00394082

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 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) 1.36 8.09 -12.62 1 6 0 75 239.275 6
Hi High (pH 8-9.5) 1.82 6.48 -53.28 0 6 -1 78 238.267 6

Activity (Go SEA)

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