UCSF

ZINC28112776

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 15 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) 2.74 6.29 -29.79 2 2 1 25 206.309 4
Hi High (pH 8-9.5) 2.74 7.08 -42.68 1 2 0 27 205.301 4

Activity (Go SEA)

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