UCSF

ZINC34557115

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 33 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) 5.86 13.94 -52.76 3 9 1 117 464.631 18
Hi High (pH 8-9.5) 5.86 12.62 -10.61 2 9 0 112 463.623 18

Activity (Go SEA)

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