UCSF

ZINC37020394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.83 1.97 -104.8 6 6 2 90 298.431 4
Mid Mid (pH 6-8) 0.83 1.69 -42.47 5 6 1 89 297.423 4

Activity (Go SEA)

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