UCSF

ZINC19720097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 27 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) 3.80 7.37 -45.91 0 6 -1 81 400.457 6
Lo Low (pH 4.5-6) 3.34 8.46 -15.7 1 6 0 78 401.465 6

Activity (Go SEA)

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