UCSF

ZINC01867499

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 39 Yes

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) 8.55 2.16 -16.27 0 4 0 43 500.605 5
Mid Mid (pH 6-8) 8.55 2.36 -22.14 1 4 1 44 501.613 5

Activity (Go SEA)

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