UCSF

ZINC35739571

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 1.86 4.72 -13.09 3 4 0 64 247.323 4
Lo Low (pH 4.5-6) 1.86 5.06 -45.68 4 4 1 65 248.331 4

Activity (Go SEA)

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