UCSF

ZINC08062823

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 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) 1.65 6.52 -50.49 2 6 1 71 376.502 7
Hi High (pH 8-9.5) 1.65 4.05 -12.48 1 6 0 70 375.494 7

Activity (Go SEA)

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