UCSF

ZINC34701391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 37 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) 4.69 12.18 -26.53 1 8 0 94 516.623 11
Hi High (pH 8-9.5) 4.87 10.72 -58.42 0 8 -1 100 515.615 11

Activity (Go SEA)

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