UCSF

ZINC40181556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.40 11.63 -21.36 1 7 0 80 449.599 11
Mid Mid (pH 6-8) 3.40 12.18 -37.21 2 7 1 81 450.607 11

Activity (Go SEA)

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