UCSF

ZINC51093322

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 23 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) 2.41 9.54 -23.69 0 5 0 47 309.369 5
Mid Mid (pH 6-8) 2.41 9.95 -34.83 1 5 1 49 310.377 5

Activity (Go SEA)

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