UCSF

ZINC43020430

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 25 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) 4.45 8.71 -13.88 2 5 0 59 402.292 4
Lo Low (pH 4.5-6) 4.45 9.09 -28.11 3 5 1 60 403.3 4
Lo Low (pH 4.5-6) 4.45 8.82 -48.16 3 5 1 63 403.3 4

Activity (Go SEA)

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