UCSF

ZINC38277323

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 34 No

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) 4.89 11.41 -62.16 0 6 -1 79 462.566 8
Lo Low (pH 4.5-6) 4.89 10.66 -12.65 1 6 0 76 463.574 8

Activity (Go SEA)

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