UCSF

ZINC20176456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

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) 4.86 11.43 -16.01 1 5 0 37 482.477 11
Mid Mid (pH 6-8) 4.86 13.75 -65.78 2 5 1 38 483.485 11

Activity (Go SEA)

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