UCSF

ZINC36205029

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 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) 3.42 7.62 -13.7 2 6 0 78 441.597 9
Mid Mid (pH 6-8) 3.42 9.09 -49.21 3 6 1 80 442.605 9

Activity (Go SEA)

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