UCSF

ZINC40885766

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 17 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) 1.84 7.39 -40.48 1 4 1 33 255.773 3
Mid Mid (pH 6-8) 1.84 5.24 -8.37 0 4 0 32 254.765 3

Activity (Go SEA)

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