UCSF

ZINC39907080

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 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) 5.96 14.05 -15.82 0 5 0 46 430.548 11
Lo Low (pH 4.5-6) 5.96 14.45 -31.51 1 5 1 47 431.556 11

Activity (Go SEA)

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