UCSF

ZINC37823041

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) 0.41 6.46 -86.92 3 5 2 56 252.362 5
Hi High (pH 8-9.5) 0.41 4.82 -16.54 1 5 0 50 250.346 5
Mid Mid (pH 6-8) 0.41 6.02 -45.16 2 5 1 55 251.354 5

Activity (Go SEA)

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