UCSF

ZINC40520409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 22 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) 2.83 9.49 -48.7 2 4 1 50 314.434 5
Mid Mid (pH 6-8) 3.29 6.61 -43.75 1 4 0 53 313.426 5

Activity (Go SEA)

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