UCSF

ZINC35216099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 21 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) 1.86 4.64 -13.82 1 5 0 65 287.363 5
Mid Mid (pH 6-8) 1.86 6.9 -50.22 2 5 1 67 288.371 5

Activity (Go SEA)

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