UCSF

ZINC07875113

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2006 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) 3.66 9.48 -53.44 2 5 1 52 353.442 4
Hi High (pH 8-9.5) 3.66 7.26 -14.41 1 5 0 51 352.434 4

Activity (Go SEA)

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