UCSF

ZINC04192884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) -3.73 4.82 -32.21 4 9 1 127 391.411 5
Lo Low (pH 4.5-6) -3.73 5.26 -79.07 5 9 2 128 392.419 5

Activity (Go SEA)

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