UCSF

ZINC36156859

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.92 8.48 -15.89 2 7 0 92 479.602 9
Mid Mid (pH 6-8) 3.92 10.69 -55.16 3 7 1 93 480.61 9

Activity (Go SEA)

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