UCSF

ZINC13125485

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.03 7.36 -16.49 1 7 0 87 464.59 7
Mid Mid (pH 6-8) 3.03 8.25 -61.98 0 7 -1 89 463.582 7

Activity (Go SEA)

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