UCSF

ZINC45696970

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 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) 1.02 8.33 -166.23 4 3 3 25 230.42 9
Hi High (pH 8-9.5) 1.02 7 -74.41 3 3 2 21 229.412 9
Mid Mid (pH 6-8) 1.02 5.89 -92.5 3 3 2 24 229.412 9

Activity (Go SEA)

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