UCSF

ZINC12786730

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 22 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) 2.36 5.06 -64.19 1 6 -1 95 303.338 5
Lo Low (pH 4.5-6) 2.36 2.74 -14.32 2 6 0 92 304.346 5

Activity (Go SEA)

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