UCSF

ZINC36155912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.06 5.33 -16.92 2 8 0 95 494.617 10
Mid Mid (pH 6-8) 2.06 7.94 -53.25 3 8 1 96 495.625 10

Activity (Go SEA)

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