UCSF

ZINC35526982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 3.73 5.88 -17.76 2 8 0 107 487.965 8
Mid Mid (pH 6-8) 3.73 5.89 -56.79 1 8 -1 109 486.957 8

Activity (Go SEA)

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