UCSF

ZINC35017338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 3.50 11.91 -38.07 1 9 -1 119 497.977 12
Mid Mid (pH 6-8) 4.25 13.02 -15.9 2 9 0 112 498.985 13

Activity (Go SEA)

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