UCSF

ZINC62934592

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 10.43 -51.58 1 4 0 57 284.359 4
Mid Mid (pH 6-8) 3.27 9.94 -53.71 0 4 -1 56 283.351 4
Mid Mid (pH 6-8) 3.27 10.38 -41.97 1 4 0 58 284.359 4

Activity (Go SEA)

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

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