UCSF

ZINC49278085

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 13 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) -1.26 -3.13 -48.34 4 5 1 69 190.267 7
Hi High (pH 8-9.5) -1.26 -1.26 -35.78 4 5 1 69 190.267 7
Lo Low (pH 4.5-6) -1.26 -0.87 -116.27 5 5 2 70 191.275 7

Activity (Go SEA)

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