UCSF

ZINC34989405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 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) -2.46 9.11 -25.9 2 8 1 88 395.487 2
Mid Mid (pH 6-8) -2.46 11.47 -78.97 3 8 2 89 396.495 2

Activity (Go SEA)

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