UCSF

ZINC16159254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 22 Yes

Other Names:

MFCD00269347

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) 3.20 5.84 -41.7 1 4 -1 73 324.156 3
Hi High (pH 8-9.5) 3.20 6.66 -115.64 0 4 -2 76 323.148 3

Activity (Go SEA)

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

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