UCSF

ZINC60120070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 40 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) 2.00 13.53 -51.23 2 12 -1 163 532.544 5
Hi High (pH 8-9.5) 2.46 11.09 -109.55 1 12 -2 166 531.536 5
Lo Low (pH 4.5-6) 2.00 13.46 -16.52 3 12 0 164 533.552 5

Activity (Go SEA)

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

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