UCSF

ZINC66207658

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 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) 5.54 9.5 -11.07 2 4 0 50 346.43 6
Lo Low (pH 4.5-6) 5.54 10.11 -44.89 3 4 1 55 347.438 6

Activity (Go SEA)

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