UCSF

ZINC43814269

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.39 8.99 -34.87 2 2 1 16 247.406 5
Mid Mid (pH 6-8) 3.39 9.66 -116.75 3 2 2 21 248.414 5
Mid Mid (pH 6-8) 3.39 7.81 -32.79 2 2 1 20 247.406 5

Activity (Go SEA)

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