UCSF

ZINC57598812

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 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) 3.43 8.52 -6.38 1 2 0 36 250.345 5
Mid Mid (pH 6-8) 3.43 9.89 -54.55 2 2 1 40 251.353 5

Activity (Go SEA)

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