UCSF

ZINC94986241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2013 11 No

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) -0.18 -1.73 -44.23 0 5 -1 74 155.133 3
Lo Low (pH 4.5-6) -0.18 -2.64 -8.25 1 5 0 71 156.141 3

Activity (Go SEA)

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

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