UCSF

ZINC13732545

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 No

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) 2.25 7.24 -43.34 2 5 1 62 264.349 6
Hi High (pH 8-9.5) 2.25 6.21 -60.61 2 5 1 66 264.349 6

Activity (Go SEA)

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