UCSF

ZINC34852150

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 39 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) 2.06 13.27 -52.31 1 8 1 75 531.677 6
Hi High (pH 8-9.5) 2.06 11.08 -17.86 0 8 0 73 530.669 6

Activity (Go SEA)

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