UCSF

ZINC37794108

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 3.05 8.11 -52.75 1 4 -1 69 274.34 5
Lo Low (pH 4.5-6) 3.05 6.17 -12.61 2 4 0 66 275.348 5

Activity (Go SEA)

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