UCSF

ZINC39709675

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 27 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) 5.43 7.54 -14.15 1 5 0 68 420.266 4
Hi High (pH 8-9.5) 5.49 5.4 -49.85 0 5 -1 74 419.258 4

Activity (Go SEA)

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