UCSF

ZINC39898100

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 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) 3.43 5.48 -15.03 3 8 0 108 471.941 9
Mid Mid (pH 6-8) 3.43 6.24 -50.52 2 8 -1 111 470.933 9

Activity (Go SEA)

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