UCSF

ZINC59268842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2011 12 Yes

Other Names:

MFCD01569452

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 4.03 -46.35 3 4 0 80 166.18 2
Hi High (pH 8-9.5) 0.89 3.57 -48.4 2 4 -1 79 165.172 2

Activity (Go SEA)

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

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