UCSF

ZINC36937282

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) 5.09 9.54 -2.91 1 1 0 12 338.676 5
Mid Mid (pH 6-8) 5.09 10.74 -43.29 2 1 1 17 339.684 5

Activity (Go SEA)

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