UCSF

ZINC00949361

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 33 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) 1.82 -5.02 -21.83 2 11 0 137 474.495 9
Hi High (pH 8-9.5) 1.82 -4.52 -53.38 1 11 -1 140 473.487 9

Activity (Go SEA)

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

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