UCSF

ZINC28262121

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 14 No

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) -0.64 0.22 -51.67 1 7 -1 103 189.158 2
Mid Mid (pH 6-8) -0.71 2.09 -46.58 1 7 -1 95 189.158 2
Lo Low (pH 4.5-6) -0.64 0.3 -128.04 0 7 -2 101 188.15 2
Lo Low (pH 4.5-6) -0.71 2.03 -11.27 2 7 0 96 190.166 2
Lo Low (pH 4.5-6) -0.71 2.22 -7.5 2 7 0 96 190.166 2

Activity (Go SEA)

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

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