UCSF

ZINC42901418

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 0.39 -0.54 -43.05 4 4 1 54 264.393 5
Mid Mid (pH 6-8) 0.39 1.75 -91.61 5 4 2 56 265.401 5
Mid Mid (pH 6-8) 0.39 2.06 -118.35 5 4 2 56 265.401 5

Activity (Go SEA)

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