UCSF

ZINC13646227

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 29 Yes

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) 4.75 8.03 -15.22 2 5 0 75 428.941 6
Hi High (pH 8-9.5) 4.75 8.11 -50.56 1 5 -1 77 427.933 6

Activity (Go SEA)

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