UCSF

ZINC24037831

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2009 27 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) 3.44 12.58 -12.44 3 9 0 109 368.445 7
Lo Low (pH 4.5-6) 3.44 12.84 -33.07 4 9 1 110 369.453 7
Lo Low (pH 4.5-6) 3.44 12.98 -23.97 4 9 1 110 369.453 7

Activity (Go SEA)

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