UCSF

ZINC37056973

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.38 9.66 -6.23 1 2 0 25 274.367 4
Lo Low (pH 4.5-6) 4.38 9.84 -35.92 2 2 1 26 275.375 4

Activity (Go SEA)

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