UCSF

ZINC08858607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 35 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) -0.75 12.89 -34.93 3 8 1 106 465.537 6
Lo Low (pH 4.5-6) -0.75 13.33 -89.1 4 8 2 108 466.545 6

Activity (Go SEA)

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