UCSF

ZINC43700301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.57 2.73 -34.39 3 5 0 80 238.287 6
Hi High (pH 8-9.5) -1.57 2.29 -44.97 2 5 -1 79 237.279 6
Hi High (pH 8-9.5) -1.57 4.35 -46.41 3 5 0 80 238.287 6
Lo Low (pH 4.5-6) -1.57 4.66 -84.18 4 5 1 81 239.295 6

Activity (Go SEA)

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