UCSF

ZINC23042869

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 28 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) 5.14 11.32 -46.11 1 5 -1 64 392.504 7
Mid Mid (pH 6-8) 4.41 11.74 -15.89 2 5 0 67 393.512 7

Activity (Go SEA)

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