UCSF

ZINC06670461

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2006 23 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) 5.46 12.64 -114.26 3 2 2 21 338.967 8
Hi High (pH 8-9.5) 5.46 11.46 -35.17 2 2 1 16 337.959 8

Activity (Go SEA)

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