UCSF

ZINC42517836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.72 3.51 -50.75 3 3 1 40 257.785 6
Mid Mid (pH 6-8) 1.72 5.33 -127.52 4 3 2 41 258.793 6

Activity (Go SEA)

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