UCSF

ZINC14010040

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 18 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) 0.81 -0.51 -9.91 3 6 0 95 313.107 2
Hi High (pH 8-9.5) 1.27 -1.45 -98.3 1 6 -2 101 311.091 2
Mid Mid (pH 6-8) 1.27 -3.14 -41.55 2 6 -1 98 312.099 2
Mid Mid (pH 6-8) 1.27 -2.85 -41.68 2 6 -1 98 312.099 2

Activity (Go SEA)

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

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