UCSF

ZINC34667419

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 32 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) 5.06 12.88 -12.49 1 4 0 42 426.56 8
Mid Mid (pH 6-8) 5.06 14.74 -41.92 2 4 1 43 427.568 8

Activity (Go SEA)

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