UCSF

ZINC03077732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 32 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) 5.87 -5.26 -14.74 2 6 0 92 472.632 6
Hi High (pH 8-9.5) 5.87 -4.67 -46.74 1 6 -1 94 471.624 6
Hi High (pH 8-9.5) 5.87 -4.1 -104.17 0 6 -2 96 470.616 6

Activity (Go SEA)

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