UCSF

ZINC42409681

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 10 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) -0.13 0.82 -103.51 4 3 2 41 148.25 6
Mid Mid (pH 6-8) -0.13 -1.43 -38.76 3 3 1 40 147.242 6

Activity (Go SEA)

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