UCSF

ZINC20107903

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 4.64 13.21 -14.56 1 4 0 37 425.985 8
Lo Low (pH 4.5-6) 4.64 13.65 -51.95 2 4 1 39 426.993 8

Activity (Go SEA)

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