UCSF

ZINC37051934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) -1.69 4.56 -36.06 2 5 0 75 209.249 3
Hi High (pH 8-9.5) -1.69 3.2 -50.72 1 5 -1 70 208.241 3

Activity (Go SEA)

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