UCSF

ZINC39548096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 23 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) 3.43 8.62 -11.87 1 3 0 42 308.356 4
Lo Low (pH 4.5-6) 3.43 8.99 -36.3 2 3 1 43 309.364 4

Activity (Go SEA)

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