UCSF

ZINC43423748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.10 4.17 -45.54 3 3 1 40 315.89 4
Hi High (pH 8-9.5) 3.10 3.88 -3.03 2 3 0 38 314.882 4
Lo Low (pH 4.5-6) 3.10 6.18 -117.48 4 3 2 41 316.898 4

Activity (Go SEA)

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