UCSF

ZINC42764775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 22 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) 3.85 3.07 -45.3 5 4 1 77 310.458 12
Hi High (pH 8-9.5) 3.85 2.71 -6.62 4 4 0 76 309.45 12

Activity (Go SEA)

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