UCSF

ZINC69982801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 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) 2.81 5.1 -42.83 2 5 1 54 340.513 8
Hi High (pH 8-9.5) 2.81 2.83 -8.9 1 5 0 53 339.505 8

Activity (Go SEA)

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

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