UCSF

ZINC60322607

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.86 2.71 -21.14 5 11 0 184 562.029 6
Hi High (pH 8-9.5) 1.93 2.08 -57.62 4 11 -1 191 561.021 6

Activity (Go SEA)

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

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