UCSF

ZINC37113269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.23 3.65 -42.78 3 3 1 48 201.334 5
Hi High (pH 8-9.5) 1.23 3.84 -5.13 2 3 0 46 200.326 5

Activity (Go SEA)

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