UCSF

ZINC35768426

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 39 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) 5.41 13.92 -16.18 0 6 0 47 529.656 9
Mid Mid (pH 6-8) 5.41 16.14 -50.74 1 6 1 48 530.664 9

Activity (Go SEA)

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