UCSF

ZINC00412646

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 1.73 7.56 -21.38 1 7 0 86 346.441 5
Hi High (pH 8-9.5) 1.91 6.35 -52.77 0 7 -1 92 345.433 5

Activity (Go SEA)

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