UCSF

ZINC01152506

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 20 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) 4.29 8.13 -11.92 2 3 0 35 351.269 5
Ref Reference (pH 7) 3.61 8.05 -11.08 2 3 0 33 351.269 6

Activity (Go SEA)

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