UCSF

ZINC01002800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 25 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) 3.93 5.35 -9.55 3 5 0 77 363.389 4
Lo Low (pH 4.5-6) 3.93 5.59 -35.91 4 5 1 78 364.397 4

Activity (Go SEA)

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