UCSF

ZINC52004008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 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) 2.53 7.44 -33.79 1 3 1 21 294.488 4
Lo Low (pH 4.5-6) 2.53 9.69 -99.02 2 3 2 22 295.496 4

Activity (Go SEA)

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