UCSF

ZINC69100636

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 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) 0.44 1.26 -13.3 1 6 0 76 304.412 7
Mid Mid (pH 6-8) 0.44 2.52 -54.33 2 6 1 80 305.42 7
Mid Mid (pH 6-8) 0.44 2.19 -50.27 2 6 1 77 305.42 7

Activity (Go SEA)

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

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