UCSF

ZINC20129990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 5.52 8.07 -11.07 2 6 0 81 443.547 6
Lo Low (pH 4.5-6) 5.52 8.52 -55.18 3 6 1 82 444.555 6

Activity (Go SEA)

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