UCSF

ZINC70513115

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.02 4.16 -81.95 4 4 2 45 287.492 9
Hi High (pH 8-9.5) 2.02 4.76 -74.34 4 4 2 45 287.492 9
Hi High (pH 8-9.5) 2.02 2.23 -32.73 3 4 1 43 286.484 9
Lo Low (pH 4.5-6) 2.02 6.58 -167.7 5 4 3 46 288.5 9

Activity (Go SEA)

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