UCSF

ZINC06685137

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 24 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) 2.40 6.8 -40.38 0 7 -1 85 347.42 7
Mid Mid (pH 6-8) 1.94 7.94 -13.29 1 7 0 82 348.428 7

Activity (Go SEA)

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