UCSF

ZINC42680397

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2010 16 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) 1.38 5.67 -38.51 1 4 1 34 229.344 6
Mid Mid (pH 6-8) 1.38 5.82 -35.55 1 4 1 34 229.344 6
Lo Low (pH 4.5-6) 1.38 8.06 -100.74 2 4 2 35 230.352 6

Activity (Go SEA)

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