UCSF

ZINC45358847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 26 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) 6.07 14.47 -44.65 2 1 1 17 342.506 5
Hi High (pH 8-9.5) 6.07 13.34 -3.44 1 1 0 12 341.498 5

Activity (Go SEA)

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