UCSF

ZINC65536333

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 19 Yes

Other Names:

MFCD02949749

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) -0.89 1.31 -43 4 7 1 87 264.309 3
Hi High (pH 8-9.5) -0.89 -1.18 -15.92 3 7 0 86 263.301 3

Activity (Go SEA)

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

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