UCSF

ZINC37985119

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.26 8.79 -48.9 2 2 1 26 471.032 5
Mid Mid (pH 6-8) 5.26 7.43 -3.86 1 2 0 21 470.024 5

Activity (Go SEA)

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