UCSF

ZINC85220980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2013 12 No

Other Names:

MFCD19687066

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) 0.79 0.34 -50.15 1 6 1 85 165.132 1
Mid Mid (pH 6-8) 0.79 1.31 -128.22 2 6 2 87 166.14 1
Lo Low (pH 4.5-6) 0.79 1.76 -245.16 3 6 3 88 167.148 1

Activity (Go SEA)

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

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