UCSF

ZINC35887607

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 34 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) 3.81 11.53 -14.62 0 7 0 68 464.541 6
Mid Mid (pH 6-8) 3.81 11.92 -44.44 1 7 1 69 465.549 6

Activity (Go SEA)

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