UCSF

ZINC13161791

Substance Information

In ZINC since Heavy atoms Benign functionality
June 2nd, 2008 27 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) 2.93 7.49 -61.28 0 5 -1 70 368.384 6
Mid Mid (pH 6-8) 3.37 6.69 -28.4 1 5 0 67 369.392 5

Activity (Go SEA)

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