UCSF

ZINC33790726

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 37 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) 5.57 13.64 -66.09 0 7 -1 86 512.611 6
Lo Low (pH 4.5-6) 5.57 12.34 -24.66 1 7 0 83 513.619 6

Activity (Go SEA)

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