UCSF

ZINC71711807

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2011 19 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) 3.80 10.84 -35.82 1 2 1 8 251.353 1
Mid Mid (pH 6-8) 3.80 10.19 -5.33 0 2 0 6 250.345 1

Activity (Go SEA)

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