UCSF

ZINC35623320

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 28 No

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) 3.62 8.78 -24.43 0 8 0 101 399.428 4
Lo Low (pH 4.5-6) 3.62 9.74 -31.66 1 8 1 103 400.436 4

Activity (Go SEA)

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

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