UCSF

ZINC05807730

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 25 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) 4.29 11.83 -45.29 2 3 1 42 338.471 4
Hi High (pH 8-9.5) 4.29 9.55 -6.04 1 3 0 41 337.463 4

Activity (Go SEA)

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