UCSF

ZINC37006238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 2.61 4.85 -8.05 1 3 0 34 250.248 5
Lo Low (pH 4.5-6) 2.61 5.25 -37.63 2 3 1 35 251.256 5

Activity (Go SEA)

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