UCSF

ZINC35815648

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 39 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) 7.14 17.01 -15.33 0 4 0 36 539.789 14
Mid Mid (pH 6-8) 7.14 20.61 -55.72 1 4 1 38 540.797 14

Activity (Go SEA)

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