UCSF

ZINC08707067

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 21 Yes

Other Names:

MFCD06809426

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) 1.00 4.96 -19.8 2 6 0 83 282.303 2
Lo Low (pH 4.5-6) -0.01 5.25 -44.72 2 6 1 78 283.311 2

Activity (Go SEA)

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

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