UCSF

ZINC33591587

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 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) 5.50 16.84 -56.85 1 5 1 45 502.72 14
Hi High (pH 8-9.5) 5.50 14.31 -12.56 0 5 0 44 501.712 14

Activity (Go SEA)

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