UCSF

ZINC06088688

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) 1.86 -4.77 -22.29 2 9 0 119 435.531 9
Hi High (pH 8-9.5) 1.86 -4.2 -46.11 1 9 -1 121 434.523 9

Activity (Go SEA)

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