UCSF

ZINC36348795

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 25 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) 1.77 6.73 -13.08 0 5 0 54 337.423 4
Mid Mid (pH 6-8) 1.77 8.96 -49.7 1 5 1 55 338.431 4

Activity (Go SEA)

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