UCSF

ZINC01158149

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 32 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) 5.06 7.84 -48.39 1 8 -1 105 469.93 7
Lo Low (pH 4.5-6) 5.06 8.38 -15.75 2 8 0 102 470.938 7

Activity (Go SEA)

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