UCSF

ZINC07905787

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) 4.73 11.41 -40.2 2 5 1 60 355.458 8
Hi High (pH 8-9.5) 4.55 10.83 -31.58 1 5 0 66 354.45 8
Hi High (pH 8-9.5) 4.73 9.16 -8.7 1 5 0 59 354.45 8

Activity (Go SEA)

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