UCSF

ZINC43252051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.83 2.35 -42.74 3 2 1 31 219.761 3
Hi High (pH 8-9.5) 1.83 2.01 -1.48 2 2 0 29 218.753 3
Lo Low (pH 4.5-6) 1.83 4.71 -114.52 4 2 2 32 220.769 3

Activity (Go SEA)

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