UCSF

ZINC35282326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 32 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) 2.78 10.7 -78.45 1 9 0 120 439.468 9
Lo Low (pH 4.5-6) 2.78 9.96 -64.61 2 9 1 117 440.476 9

Activity (Go SEA)

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