UCSF

ZINC34941715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 2.95 9.31 -58.29 0 7 -1 92 443.479 8
Lo Low (pH 4.5-6) 2.95 8.57 -14.08 1 7 0 89 444.487 8
Lo Low (pH 4.5-6) 2.95 9.02 -48.44 2 7 1 90 445.495 8

Activity (Go SEA)

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