UCSF

ZINC53446032

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 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) 1.58 8.13 -84.85 3 4 2 34 281.444 11
Hi High (pH 8-9.5) 1.58 5.98 -32.73 2 4 1 33 280.436 11

Activity (Go SEA)

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