UCSF

ZINC12648673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 26 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) 4.47 8.56 -11.72 1 5 0 66 372.49 7
Hi High (pH 8-9.5) 4.47 8.63 -42.22 0 5 -1 69 371.482 7

Activity (Go SEA)

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