UCSF

ZINC03416336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 31 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) 3.37 4.69 -22.87 2 8 0 104 439.472 7
Ref Reference (pH 7) 3.37 4.87 -25.32 2 8 0 104 439.472 6

Activity (Go SEA)

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