UCSF

ZINC58165765

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 35 Yes

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) 6.14 15.61 -29.48 3 6 0 71 466.609 9
Mid Mid (pH 6-8) 6.14 15.53 -13.95 2 6 0 70 465.601 9

Activity (Go SEA)

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