UCSF

ZINC42322268

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) -0.04 4.03 -48.5 1 7 -1 85 286.352 7
Mid Mid (pH 6-8) -0.04 6.42 -47.49 2 7 0 86 287.36 7

Activity (Go SEA)

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