UCSF

ZINC35777117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) -0.81 -1.87 -7.78 1 6 0 62 249.336 2
Mid Mid (pH 6-8) -0.81 -0.58 -52.28 2 6 1 66 250.344 2

Activity (Go SEA)

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