UCSF

ZINC45371861

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 31 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) 5.20 16 -15.96 1 5 0 56 433.939 9
Mid Mid (pH 6-8) 5.20 16.33 -30.33 2 5 1 57 434.947 9

Activity (Go SEA)

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