UCSF

ZINC39753325

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 35 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) 1.66 8.24 -24.59 2 11 0 133 517.637 12
Hi High (pH 8-9.5) 1.84 7.04 -53.86 1 11 -1 139 516.629 12

Activity (Go SEA)

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