UCSF

ZINC31946084

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 No

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) 1.36 6.01 -10.38 0 6 0 69 297.742 4
Mid Mid (pH 6-8) 1.36 8.29 -57 1 6 1 71 298.75 4

Activity (Go SEA)

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