UCSF

ZINC19366982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 2.56 6.97 -38.21 2 3 1 26 261.389 5
Lo Low (pH 4.5-6) 2.56 7.99 -113.44 3 3 2 30 262.397 5

Activity (Go SEA)

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