UCSF

ZINC13122443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 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) 2.16 5.32 -12 2 8 0 99 386.33 5
Hi High (pH 8-9.5) 2.16 4.39 -42.22 1 8 -1 101 385.322 5

Activity (Go SEA)

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