UCSF

ZINC19370791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 36 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) 7.31 18.85 -39.47 1 2 1 8 509.764 5
Mid Mid (pH 6-8) 7.31 17.03 -5.59 0 2 0 6 508.756 5
Mid Mid (pH 6-8) 7.31 18.57 -38.3 1 2 1 8 509.764 5

Activity (Go SEA)

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