UCSF

ZINC19784768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 13 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) 1.27 4.33 -32.19 2 2 1 25 184.234 3
Hi High (pH 8-9.5) 1.27 1.73 -5.31 1 2 0 23 183.226 3

Activity (Go SEA)

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