UCSF

ZINC18158215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 21 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) 5.83 8.37 -6.4 1 3 0 45 355.271 2
Hi High (pH 8-9.5) 6.28 6.6 -37.93 0 3 -1 48 354.263 2

Activity (Go SEA)

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