UCSF

ZINC45235942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 15 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) -1.06 3.59 -30.98 3 4 0 81 222.269 3
Hi High (pH 8-9.5) -1.06 3.23 -46.77 2 4 -1 79 221.261 3

Activity (Go SEA)

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

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