UCSF

ZINC36156856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 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) 2.68 6.16 -18.1 2 8 0 105 469.563 10
Mid Mid (pH 6-8) 2.68 8.51 -55.18 3 8 1 106 470.571 10

Activity (Go SEA)

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