UCSF

ZINC49246921

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 38 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) 6.29 12.09 -18.71 2 6 0 103 522.626 8
Hi High (pH 8-9.5) 6.29 13.02 -50.15 1 6 -1 106 521.618 8

Activity (Go SEA)

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

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