UCSF

ZINC39305539

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 3.74 13.84 -13.84 0 6 0 72 457.574 7
Lo Low (pH 4.5-6) 3.74 13.94 -36.14 1 6 1 74 458.582 7

Activity (Go SEA)

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