UCSF

ZINC37158320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 11 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) 0.49 5.41 -41.5 2 3 1 34 154.237 4
Lo Low (pH 4.5-6) 0.49 5.92 -95.42 3 3 2 36 155.245 4

Activity (Go SEA)

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