UCSF

ZINC35017099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 25 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) 2.44 9.19 -37.96 1 6 -1 83 381.499 9
Mid Mid (pH 6-8) 3.19 10.29 -13.91 2 6 0 77 382.507 10

Activity (Go SEA)

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