UCSF

ZINC52570817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 18 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) 3.25 5.78 -32.53 2 3 1 29 257.442 6
Lo Low (pH 4.5-6) 3.25 7.35 -101.07 3 3 2 30 258.45 6

Activity (Go SEA)

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