UCSF

ZINC51562969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 22 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) 2.29 3.29 -12.46 3 5 0 70 323.824 5
Lo Low (pH 4.5-6) 2.29 4.42 -43.08 4 5 1 75 324.832 5

Activity (Go SEA)

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