UCSF

ZINC43616938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 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) 3.83 7.39 -31.67 2 2 1 29 221.368 6
Hi High (pH 8-9.5) 3.83 5.71 -3.77 1 2 0 25 220.36 6
Lo Low (pH 4.5-6) 3.83 7.27 -27.4 2 2 1 26 221.368 6

Activity (Go SEA)

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