UCSF

ZINC13125285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 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) 0.88 6.88 -12.09 1 8 0 95 286.295 4
Lo Low (pH 4.5-6) 1.06 7.05 -32.47 2 8 1 100 287.303 4

Activity (Go SEA)

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