UCSF

ZINC58166277

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 27 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) 2.55 6.77 -45.63 2 5 1 46 373.517 11
Hi High (pH 8-9.5) 2.55 6.83 -44.56 2 5 1 46 373.517 11
Lo Low (pH 4.5-6) 2.55 9.15 -117.27 3 5 2 48 374.525 11

Activity (Go SEA)

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