UCSF

ZINC06088696

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 29 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) 2.18 -5.29 -21.76 2 9 0 118 452.587 8
Hi High (pH 8-9.5) 2.18 -4.71 -45 1 9 -1 120 451.579 8

Activity (Go SEA)

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