UCSF

ZINC43971808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 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) 3.14 6.76 -34.65 2 3 1 29 269.453 6
Hi High (pH 8-9.5) 3.14 6.03 -0.75 1 3 0 24 268.445 6
Hi High (pH 8-9.5) 3.14 7.85 -32.21 2 3 1 26 269.453 6

Activity (Go SEA)

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