UCSF

ZINC05924394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 16 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) 3.28 5.33 -35.21 0 3 -1 48 240.348 5
Mid Mid (pH 6-8) 3.28 4.98 -7.99 1 3 0 46 241.356 5

Activity (Go SEA)

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