UCSF

ZINC37824017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.29 4.7 -80.17 3 5 2 45 284.448 5
Lo Low (pH 4.5-6) 0.29 6.97 -161.72 4 5 3 46 285.456 5
Lo Low (pH 4.5-6) 0.29 4.59 -87.62 3 5 2 45 284.448 5

Activity (Go SEA)

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