UCSF

ZINC03661682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 21 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) 2.91 0.85 -28.43 1 5 0 72 345.152 2
Lo Low (pH 4.5-6) 2.91 0.46 -44.8 2 5 1 73 346.16 2

Activity (Go SEA)

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