UCSF

ZINC69179868

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 23 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) 1.59 6.44 -10.85 1 7 0 71 327.417 4
Lo Low (pH 4.5-6) 1.59 6.91 -50.85 2 7 1 72 328.425 4

Activity (Go SEA)

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