UCSF

ZINC43413763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.61 6.97 -59.75 3 5 0 86 296.411 7
Hi High (pH 8-9.5) 2.61 5.76 -49.74 2 5 -1 81 295.403 7
Lo Low (pH 4.5-6) 2.61 5 -45.26 4 5 1 83 297.419 7

Activity (Go SEA)

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