UCSF

ZINC30982456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 29 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) 3.50 6.47 -27.59 4 7 0 110 412.515 7
Hi High (pH 8-9.5) 3.68 5.39 -61.76 3 7 -1 116 411.507 7

Activity (Go SEA)

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