UCSF

ZINC37051951

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) 3.99 7.41 -6.95 1 3 0 30 340.652 2
Lo Low (pH 4.5-6) 3.99 7.83 -32.62 2 3 1 31 341.66 2

Activity (Go SEA)

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