UCSF

ZINC39327959

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 32 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) 3.78 6.8 -9.89 3 6 0 90 458.465 6
Lo Low (pH 4.5-6) 3.78 7.26 -40.74 4 6 1 91 459.473 6

Activity (Go SEA)

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