UCSF

ZINC20545012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 2.32 6.01 -44.47 2 4 1 46 303.213 4
Hi High (pH 8-9.5) 2.32 3.85 -7.64 1 4 0 45 302.205 4

Activity (Go SEA)

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