UCSF

ZINC07661981

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 28 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) 2.82 8.51 -43.71 2 6 1 61 385.484 10
Hi High (pH 8-9.5) 2.82 6.56 -12.68 1 6 0 60 384.476 10

Activity (Go SEA)

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