UCSF

ZINC36705048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 37 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) 5.34 13.02 -22.71 0 7 0 76 513.619 6
Lo Low (pH 4.5-6) 5.34 15.3 -53.58 1 7 1 77 514.627 6

Activity (Go SEA)

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