UCSF

ZINC43226830

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 5.12 11.05 -8.83 1 4 0 47 279.428 11
Lo Low (pH 4.5-6) 5.12 11.59 -35.07 2 4 1 48 280.436 11

Activity (Go SEA)

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