UCSF

ZINC39761595

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 29 No

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) 3.09 3.38 -20.88 2 11 0 152 397.347 7
Hi High (pH 8-9.5) 3.16 0.74 -45.82 1 11 -1 159 396.339 7

Activity (Go SEA)

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