UCSF

ZINC43214141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 24 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) 5.77 12.97 -48.71 0 4 -1 66 333.448 14
Lo Low (pH 4.5-6) 5.77 10.99 -10.71 1 4 0 64 334.456 14

Activity (Go SEA)

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