UCSF

ZINC37575334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 2.67 5.75 -11.3 0 4 0 50 355.257 4
Lo Low (pH 4.5-6) 2.67 6 -41.47 1 4 1 52 356.265 4

Activity (Go SEA)

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