UCSF

ZINC37081475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.59 1.89 -10.05 3 5 0 75 194.238 2
Lo Low (pH 4.5-6) -0.59 2.03 -34.77 4 5 1 76 195.246 2

Activity (Go SEA)

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