UCSF

ZINC31911490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 2.62 4.59 -25.09 2 6 0 79 314.341 5
Hi High (pH 8-9.5) 2.62 5.57 -72.03 1 6 -1 82 313.333 5

Activity (Go SEA)

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