UCSF

ZINC47628092

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.20 5.93 -42.74 3 3 1 48 290.214 6
Hi High (pH 8-9.5) 3.20 3.75 -7.47 2 3 0 46 289.206 6

Activity (Go SEA)

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