UCSF

ZINC35729357

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 38 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) 7.40 15.33 -15.72 2 6 0 84 530.669 12
Hi High (pH 8-9.5) 7.58 13.46 -43.71 1 6 -1 90 529.661 12

Activity (Go SEA)

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