UCSF

ZINC20629831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 23 Yes

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) 0.65 3.23 -25.31 2 6 0 80 313.357 7
Lo Low (pH 4.5-6) 0.65 3.67 -61.67 3 6 1 82 314.365 7

Activity (Go SEA)

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