UCSF

ZINC34529340

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 5.87 11.56 -7.73 2 2 0 24 326.443 6
Lo Low (pH 4.5-6) 5.87 12.03 -45.67 3 2 1 29 327.451 6

Activity (Go SEA)

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