UCSF

ZINC41513211

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.00 2.68 -8.53 1 5 0 63 289.331 2
Hi High (pH 8-9.5) 2.00 3.25 -40.83 0 5 -1 66 288.323 2
Lo Low (pH 4.5-6) 2.00 4.97 -41.17 2 5 1 64 290.339 2

Activity (Go SEA)

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

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