UCSF

ZINC09707416

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 31 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) 4.03 -2.84 -14.14 1 7 0 90 455.923 5
Hi High (pH 8-9.5) 4.03 -2.26 -46.84 0 7 -1 92 454.915 5

Activity (Go SEA)

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

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