UCSF

ZINC65319298

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2011 29 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) 5.46 12.79 -62.09 2 5 0 43 409.579 8
Mid Mid (pH 6-8) 5.46 12.68 -13.28 1 5 0 42 408.571 8
Lo Low (pH 4.5-6) 5.46 13.35 -80.67 3 5 0 48 410.587 8

Activity (Go SEA)

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