UCSF

ZINC57934963

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 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) 3.62 11.22 -12.96 0 5 0 41 386.908 4
Lo Low (pH 4.5-6) 3.62 11.7 -41.02 1 5 1 42 387.916 4

Activity (Go SEA)

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