UCSF

ZINC33517662

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 35 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) 3.86 10.89 -55.26 0 7 -1 88 472.517 9
Lo Low (pH 4.5-6) 3.86 9.6 -19.5 1 7 0 85 473.525 9

Activity (Go SEA)

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