UCSF

ZINC34975243

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.32 6.7 -12.43 1 3 0 46 262.721 1
Hi High (pH 8-9.5) 3.77 4.59 -45.63 0 3 -1 49 261.713 1

Activity (Go SEA)

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