UCSF

ZINC23128879

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 26 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) 2.17 4.75 -49.22 1 7 1 65 359.45 5
Hi High (pH 8-9.5) 2.17 2.46 -8.92 0 7 0 64 358.442 5
Lo Low (pH 4.5-6) 2.17 4.36 -41.77 1 7 1 65 359.45 5

Activity (Go SEA)

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