UCSF

ZINC16002808

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 27 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) 2.65 8.86 -60.26 3 6 1 66 387.891 4
Mid Mid (pH 6-8) 2.65 6.52 -15.34 2 6 0 65 386.883 4

Activity (Go SEA)

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