UCSF

ZINC38456231

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 35 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) 5.19 11.62 -47.43 3 6 1 83 468.577 7
Hi High (pH 8-9.5) 5.19 9.41 -15.28 2 6 0 82 467.569 7

Activity (Go SEA)

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