UCSF

ZINC18193331

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 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) 1.43 4.17 -53.98 1 8 -1 106 398.391 7
Lo Low (pH 4.5-6) 1.43 2.87 -22.33 2 8 0 103 399.399 7

Activity (Go SEA)

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