UCSF

ZINC44722851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 16 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) 0.58 3.51 -36.59 3 4 1 46 224.328 5
Hi High (pH 8-9.5) 0.58 1.12 -6.99 2 4 0 44 223.32 5
Lo Low (pH 4.5-6) 0.58 4.71 -110.46 4 4 2 50 225.336 5

Activity (Go SEA)

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