UCSF

ZINC06620865

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 29 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) 2.80 7.1 -62.01 0 7 -1 92 398.435 10
Mid Mid (pH 6-8) 2.80 0.32 -16.49 1 7 0 89 399.443 10
Mid Mid (pH 6-8) 2.22 0.19 -26.5 0 7 0 86 399.443 10

Activity (Go SEA)

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