UCSF

ZINC26092743

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 26 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) 1.90 7.4 -25.22 1 6 0 79 354.406 5
Hi High (pH 8-9.5) 2.36 6.37 -51.69 0 6 -1 83 353.398 5

Activity (Go SEA)

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