UCSF

ZINC42451439

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) 1.60 0.76 -3.65 1 3 0 33 201.31 3
Mid Mid (pH 6-8) 1.60 2.95 -28.91 2 3 1 34 202.318 3

Activity (Go SEA)

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