UCSF

ZINC16676537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 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) 2.42 5 -60.9 2 9 1 114 496.631 8
Mid Mid (pH 6-8) 2.42 2.92 -23.84 1 9 0 113 495.623 8

Activity (Go SEA)

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