UCSF

ZINC49380826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.71 5.55 -26.59 2 8 0 95 391.428 6
Hi High (pH 8-9.5) 1.53 4.22 -63.25 1 8 -1 101 390.42 6

Activity (Go SEA)

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

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