UCSF

ZINC01956698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 34 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) 6.60 15.27 -14.12 1 5 0 65 471.578 9
Hi High (pH 8-9.5) 6.78 13.41 -47.93 0 5 -1 71 470.57 9

Activity (Go SEA)

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