UCSF

ZINC36174224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 26 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) 4.34 11.18 -42.81 2 4 1 37 372.92 5
Mid Mid (pH 6-8) 4.34 8.83 -8.64 1 4 0 36 371.912 5

Activity (Go SEA)

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