UCSF

ZINC37180343

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) 2.88 4.19 -41.69 3 4 1 67 246.334 4
Hi High (pH 8-9.5) 2.88 3.85 -6.44 2 4 0 65 245.326 4

Activity (Go SEA)

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