UCSF

ZINC34560654

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 No

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) 2.61 7.46 -5.66 0 3 0 30 283.368 4
Lo Low (pH 4.5-6) 2.61 9.1 -35.41 1 3 1 31 284.376 4

Activity (Go SEA)

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