UCSF

ZINC95748681

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2014 14 Yes

Other Names:

MFCD06410896

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) -1.01 -0.09 -44.8 3 4 1 62 192.242 3
Hi High (pH 8-9.5) -1.01 -0.48 -6.88 2 4 0 60 191.234 3

Activity (Go SEA)

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

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