UCSF

ZINC49707003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 0.90 1.51 -10.74 1 7 0 71 287.36 6
Mid Mid (pH 6-8) 0.90 3.71 -50.61 2 7 1 72 288.368 6

Activity (Go SEA)

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