UCSF

ZINC37989903

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 0.97 5.94 -46.38 1 4 1 38 266.752 1
Mid Mid (pH 6-8) 0.97 3.81 -8.38 0 4 0 36 265.744 1

Activity (Go SEA)

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