UCSF

ZINC36327275

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 3.60 8.07 -6.9 0 3 0 25 290.794 3
Mid Mid (pH 6-8) 3.60 8.53 -26.11 1 3 1 27 291.802 3

Activity (Go SEA)

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