UCSF

ZINC39748830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 34 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) 3.78 9.93 -17.05 2 9 0 115 498.634 9
Hi High (pH 8-9.5) 3.96 8.53 -48.8 1 9 -1 121 497.626 9

Activity (Go SEA)

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