UCSF

ZINC37412707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 15 No

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) 2.68 7.68 -8.49 0 2 0 18 224.666 2
Lo Low (pH 4.5-6) 2.68 8.12 -28.17 1 2 1 19 225.674 2

Activity (Go SEA)

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