UCSF

ZINC37075402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.78 10.64 -104.46 3 2 2 21 274.452 4
Hi High (pH 8-9.5) 3.78 9.89 -32.29 2 2 1 16 273.444 4
Hi High (pH 8-9.5) 3.78 8.33 -32.37 2 2 1 20 273.444 4

Activity (Go SEA)

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