UCSF

ZINC39907074

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 30 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) 6.34 14.15 -13.71 0 4 0 36 400.522 10
Lo Low (pH 4.5-6) 6.34 14.55 -29.86 1 4 1 38 401.53 10

Activity (Go SEA)

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