UCSF

ZINC35841169

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 6.63 16.94 -4.53 0 2 0 8 448.532 9
Mid Mid (pH 6-8) 6.63 17.55 -48.44 1 2 1 9 449.54 9

Activity (Go SEA)

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