UCSF

ZINC35017087

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 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) 2.24 8.6 -37.74 1 6 -1 83 367.472 8
Mid Mid (pH 6-8) 2.99 9.69 -13.81 2 6 0 77 368.48 9

Activity (Go SEA)

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