UCSF

ZINC69474061

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 20 Yes

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) 2.16 6.48 -27.62 2 4 1 44 267.356 4
Mid Mid (pH 6-8) 2.16 6.62 -29.78 2 4 1 44 267.356 4
Mid Mid (pH 6-8) 2.16 5.99 -13.37 1 4 0 43 266.348 4
Mid Mid (pH 6-8) 2.16 6.92 -82.28 3 4 2 45 268.364 4
Mid Mid (pH 6-8) 2.16 7.07 -36.11 2 4 1 47 267.356 4

Activity (Go SEA)

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

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