UCSF

ZINC41533298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 20 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) 1.92 4 -8.69 1 4 0 42 280.343 5
Mid Mid (pH 6-8) 1.92 6.02 -45.7 2 4 1 43 281.351 5

Activity (Go SEA)

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