UCSF

ZINC06253045

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 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) 2.64 8.22 -16.34 2 7 0 108 393.406 4
Lo Low (pH 4.5-6) 2.64 8.44 -44.33 3 7 1 109 394.414 4

Activity (Go SEA)

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