UCSF

ZINC13965088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 13 Yes

Other Names:

MFCD03384023

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) 0.53 3.39 -44.06 1 6 -1 82 180.191 2
Mid Mid (pH 6-8) 0.53 3.45 -9.79 2 6 0 84 181.199 2

Activity (Go SEA)

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

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