UCSF

ZINC33774222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 33 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) 2.93 9.92 -56.11 0 8 -1 105 464.523 9
Lo Low (pH 4.5-6) 2.93 8.62 -22.87 1 8 0 102 465.531 9

Activity (Go SEA)

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