UCSF

ZINC37019885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 2.32 4.4 -89.79 0 5 -2 88 374.134 6
Mid Mid (pH 6-8) 2.32 4.36 -45.11 1 5 -1 86 375.142 6

Activity (Go SEA)

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