UCSF

ZINC36333880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 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) 1.91 3.31 -99.28 0 7 -2 114 346.151 4
Lo Low (pH 4.5-6) 1.91 3.36 -49.83 1 7 -1 112 347.159 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.