UCSF

ZINC42463938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.79 2.01 -40.42 3 3 1 40 201.334 5
Mid Mid (pH 6-8) 0.79 3.43 -30.24 3 3 1 40 201.334 5

Activity (Go SEA)

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