UCSF

ZINC35843663

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 6.02 16.86 -52.9 2 6 1 67 533.52 13
Mid Mid (pH 6-8) 6.02 15.31 -21.94 1 6 0 66 532.512 13

Activity (Go SEA)

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