UCSF

ZINC42429037

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 19 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) -1.05 0.69 -43.26 4 6 1 80 269.369 4
Hi High (pH 8-9.5) -1.05 -1.48 -14.5 3 6 0 79 268.361 4
Mid Mid (pH 6-8) -1.05 1.98 -103.13 5 6 2 84 270.377 4

Activity (Go SEA)

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

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