UCSF

ZINC85221267

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 14 No

Other Names:

MFCD02682963

MFCD23140941

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) -0.08 0.29 -23.62 2 6 0 76 199.21 5
Hi High (pH 8-9.5) 0.55 -0.45 -53.64 1 6 -1 83 198.202 4

Activity (Go SEA)

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

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