UCSF

ZINC39343422

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 15 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) 1.30 6.63 -48.55 0 3 -1 57 207.249 2
Lo Low (pH 4.5-6) 1.30 4.65 -11.57 1 3 0 54 208.257 2

Activity (Go SEA)

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