UCSF

ZINC40953139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 35 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) 5.69 14.8 -128.45 0 5 -2 97 482.661 5
Lo Low (pH 4.5-6) 5.69 12.89 -66.11 1 5 -1 94 483.669 5

Activity (Go SEA)

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