UCSF

ZINC37116381

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) -0.91 -1.9 -48.6 5 4 1 74 186.279 3
Lo Low (pH 4.5-6) -0.91 0.07 -110.29 6 4 2 75 187.287 3

Activity (Go SEA)

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