UCSF

ZINC09374446

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 4.75 10.87 -38.8 0 5 -1 70 426.92 7
Mid Mid (pH 6-8) 5.19 9.33 -24.39 1 5 0 67 427.928 6
Mid Mid (pH 6-8) 4.16 0.7 -15.91 0 5 0 63 427.928 7

Activity (Go SEA)

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