UCSF

ZINC34962791

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 1.84 6.19 -11.06 0 5 0 56 245.673 2
Lo Low (pH 4.5-6) 1.84 6.65 -37.54 1 5 1 57 246.681 2

Activity (Go SEA)

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