UCSF

ZINC04974799

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2006 34 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) 5.67 12.91 -15.78 1 4 0 64 464.646 2
Hi High (pH 8-9.5) 5.67 13.72 -64.6 0 4 -1 66 463.638 2

Activity (Go SEA)

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