UCSF

ZINC37997545

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 3.24 10.71 -105.71 3 2 2 21 262.441 7
Hi High (pH 8-9.5) 3.24 8.76 -41.92 2 2 1 20 261.433 7
Hi High (pH 8-9.5) 3.24 9.52 -32.94 2 2 1 16 261.433 7

Activity (Go SEA)

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