UCSF

ZINC38478023

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2010 18 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) 0.89 7.41 -46.35 2 5 1 49 248.354 2
Hi High (pH 8-9.5) 0.89 6.14 -6.18 1 5 0 44 247.346 2
Lo Low (pH 4.5-6) 0.89 7.76 -87.24 3 5 2 50 249.362 2

Activity (Go SEA)

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