UCSF

ZINC37092118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 2.99 6.46 -6.1 1 3 0 34 260.312 5
Lo Low (pH 4.5-6) 2.99 6.92 -37.54 2 3 1 35 261.32 5

Activity (Go SEA)

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