UCSF

ZINC36203724

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 4.21 10.54 -16.66 1 6 0 75 425.554 6
Mid Mid (pH 6-8) 4.21 12.78 -61.14 2 6 1 76 426.562 6

Activity (Go SEA)

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