UCSF

ZINC53297906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 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) 1.57 5.21 -38 2 5 -1 81 308.148 1
Mid Mid (pH 6-8) 2.38 6.03 -36.45 2 5 -1 74 308.148 1
Mid Mid (pH 6-8) 2.38 6.02 -15 3 5 0 77 309.156 1

Activity (Go SEA)

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

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