UCSF

ZINC37822213

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 0.96 5.72 -39.3 2 4 1 50 250.366 6
Hi High (pH 8-9.5) 0.96 4.52 -7.54 1 4 0 45 249.358 6
Lo Low (pH 4.5-6) 0.96 6.19 -84.28 3 4 2 51 251.374 6

Activity (Go SEA)

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