UCSF

ZINC69138790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 20 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) -0.09 1.01 -117.34 4 5 2 69 305.488 5
Hi High (pH 8-9.5) -0.09 -1.47 -8.91 2 5 0 67 303.472 5
Mid Mid (pH 6-8) -0.09 -1.11 -49.19 3 5 1 68 304.48 5

Activity (Go SEA)

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

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