UCSF

ZINC70513721

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.85 7.38 -35.36 3 3 1 40 293.475 10
Lo Low (pH 4.5-6) 3.85 7.49 -110.59 4 3 0 41 294.483 10

Activity (Go SEA)

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