UCSF

ZINC53933262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 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) 2.22 6.13 -34.21 2 3 1 28 277.432 6
Mid Mid (pH 6-8) 2.22 8.42 -101.3 3 3 2 29 278.44 6
Mid Mid (pH 6-8) 2.22 6.18 -37.17 2 3 1 28 277.432 6

Activity (Go SEA)

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

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