UCSF

ZINC44269281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 4.44 9.19 -9.41 2 3 0 44 297.789 2
Mid Mid (pH 6-8) 4.44 9.39 -26.42 3 3 1 45 298.797 2

Activity (Go SEA)

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