UCSF

ZINC06743574

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 24 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) 4.53 10.66 -10.16 1 4 0 54 312.376 2
Hi High (pH 8-9.5) 4.53 10.23 -43.35 0 4 -1 53 311.368 2
Mid Mid (pH 6-8) 4.53 11.07 -91.39 3 4 2 57 314.392 2

Activity (Go SEA)

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

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