UCSF

ZINC33720226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 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) 4.02 10.79 -22.09 2 7 0 91 517.026 10
Hi High (pH 8-9.5) 3.83 9.72 -48.84 1 7 -1 98 516.018 10

Activity (Go SEA)

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