UCSF

ZINC13423792

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 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) 1.15 8.37 -41.4 1 10 0 118 414.399 5
Hi High (pH 8-9.5) 1.61 7.27 -63.18 0 10 -1 121 413.391 5

Activity (Go SEA)

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