UCSF

ZINC25489482

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 20 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) 3.64 8.72 -11.6 1 3 0 46 268.36 3
Hi High (pH 8-9.5) 4.10 6.73 -52.28 0 3 -1 49 267.352 3

Activity (Go SEA)

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