UCSF

ZINC18051666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 26 No

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) 5.07 9.67 -11.14 0 4 0 43 344.414 6
Ref Reference (pH 7) 5.07 8.21 -11.27 0 4 0 43 344.414 6
Ref Reference (pH 7) 5.07 8.86 -11.35 0 4 0 43 344.414 6
Lo Low (pH 4.5-6) 5.07 9.3 -44.28 1 4 1 45 345.422 6
Lo Low (pH 4.5-6) 5.07 9.23 -41.89 1 4 1 45 345.422 6
Lo Low (pH 4.5-6) 5.07 8.63 -40.74 1 4 1 45 345.422 6
Lo Low (pH 4.5-6) 5.07 8.65 -43.22 1 4 1 45 345.422 6
Lo Low (pH 4.5-6) 5.07 10.02 -40.16 1 4 1 45 345.422 6

Activity (Go SEA)

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