UCSF

ZINC35844959

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.18 14.36 -18.75 0 6 0 74 467.569 11
Mid Mid (pH 6-8) 4.18 16.46 -55.78 1 6 1 75 468.577 11

Activity (Go SEA)

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