UCSF

ZINC26896043

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 15 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) 1.33 3.98 -44.43 2 3 1 33 220.321 1
Hi High (pH 8-9.5) 1.33 2.56 -7.02 1 3 0 28 219.313 1
Lo Low (pH 4.5-6) 1.33 4.28 -97.14 3 3 2 34 221.329 1

Activity (Go SEA)

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

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