UCSF

ZINC19987475

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 3.57 6.68 -47.43 3 3 1 46 304.241 6
Mid Mid (pH 6-8) 3.57 5.64 -9.81 2 3 0 41 303.233 6

Activity (Go SEA)

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