UCSF

ZINC06622066

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 No

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) 3.36 9.14 -62.21 0 5 -1 70 394.422 5
Lo Low (pH 4.5-6) 3.36 8.38 -14.59 1 5 0 67 395.43 5

Activity (Go SEA)

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