UCSF

ZINC02530680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

CAS Numbers: 111900-32-4 , 89253-38-3

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) -2.66 -2.63 -71.06 3 5 -1 107 172.16 2

Activity (Go SEA)

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

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