UCSF

ZINC28521750

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 18 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) 1.45 7.04 -43.47 3 2 1 37 242.342 5
Hi High (pH 8-9.5) 1.45 6.76 -3.58 2 2 0 35 241.334 5

Activity (Go SEA)

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