UCSF

ZINC54904129

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 No

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) 1.16 3.07 -50.1 2 5 1 67 302.445 2
Hi High (pH 8-9.5) 1.16 1.66 -11.97 1 5 0 62 301.437 2
Lo Low (pH 4.5-6) 1.16 3.45 -107 3 5 2 68 303.453 2

Activity (Go SEA)

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

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