UCSF

ZINC62934591

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 3.27 10.48 -34.29 1 4 0 57 284.359 4
Mid Mid (pH 6-8) 3.27 10.28 -44.66 1 4 0 58 284.359 4
Mid Mid (pH 6-8) 3.27 9.86 -54.6 0 4 -1 56 283.351 4

Activity (Go SEA)

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

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