UCSF

ZINC27529522

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 32 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) 0.66 3.16 -109.89 6 8 2 118 440.544 14
Hi High (pH 8-9.5) 0.66 1.86 -62.19 5 8 1 113 439.536 14
Hi High (pH 8-9.5) 0.66 1.92 -61.49 5 8 1 113 439.536 14
Hi High (pH 8-9.5) 0.66 0.31 -15.75 4 8 0 109 438.528 14
Lo Low (pH 4.5-6) 0.66 3.82 -180.39 7 8 3 119 441.552 14
Lo Low (pH 4.5-6) 0.66 3.8 -178.87 7 8 3 119 441.552 14

Activity (Go SEA)

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