UCSF

ZINC57294216

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 27 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) 1.63 2.76 -15.54 1 8 0 91 396.513 7
Hi High (pH 8-9.5) 1.81 1.33 -46.8 0 8 -1 98 395.505 7

Activity (Go SEA)

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