UCSF

ZINC47246393

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 27 Yes

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) 2.14 4.6 -16.45 2 7 0 91 392.456 6
Lo Low (pH 4.5-6) 2.14 5.05 -38.33 3 7 1 93 393.464 6

Activity (Go SEA)

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