UCSF

ZINC21019298

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 16 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) 2.45 6.22 -38.75 2 3 1 29 242.412 6
Hi High (pH 8-9.5) 2.45 4.17 -4.71 1 3 0 28 241.404 6
Lo Low (pH 4.5-6) 2.45 6.63 -86.84 3 3 2 31 243.42 6

Activity (Go SEA)

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