UCSF

ZINC06659058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 25 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) 4.91 8.85 -9.85 0 4 0 38 398.304 3
Mid Mid (pH 6-8) 4.91 10.99 -42.37 1 4 1 39 399.312 3

Activity (Go SEA)

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