UCSF

ZINC20083302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 16 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 -0.37 -57.32 4 7 1 104 227.244 4
Mid Mid (pH 6-8) -2.32 -1.78 -23.13 3 7 0 99 226.236 4

Activity (Go SEA)

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