UCSF

ZINC18068645

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 26 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) 6.52 12.72 -8.21 0 4 0 48 353.462 11
Lo Low (pH 4.5-6) 6.52 12.36 -43.45 1 4 1 50 354.47 11
Lo Low (pH 4.5-6) 6.52 13.07 -41.03 1 4 1 50 354.47 11

Activity (Go SEA)

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