UCSF

ZINC39906947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.07 13.42 -14.94 0 4 0 36 386.495 9
Lo Low (pH 4.5-6) 6.07 14.09 -29.37 1 4 1 38 387.503 9

Activity (Go SEA)

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