UCSF

ZINC06778080

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 5.33 11.16 -16.8 1 5 0 62 381.586 12
Hi High (pH 8-9.5) 5.15 9.81 -48.68 0 5 -1 69 380.578 12

Activity (Go SEA)

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