UCSF

ZINC21987726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 2.18 7.9 -39.84 2 5 1 59 266.365 4
Mid Mid (pH 6-8) 2.18 7.63 -42.27 2 5 1 59 266.365 4
Mid Mid (pH 6-8) 2.18 7.35 -9.39 1 5 0 58 265.357 4

Activity (Go SEA)

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

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