UCSF

ZINC00631179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 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) 2.96 -5.15 -17.11 2 6 0 88 387.848 5
Hi High (pH 8-9.5) 2.96 -4.58 -43.77 1 6 -1 90 386.84 5

Activity (Go SEA)

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

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