UCSF

ZINC01450550

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 36 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) 5.52 11.64 -67.45 0 7 -1 92 499.568 6
Mid Mid (pH 6-8) 4.94 -0.17 -26.29 0 7 0 85 500.576 6

Activity (Go SEA)

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