UCSF

ZINC37087939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.97 7.63 -32.12 2 4 0 70 265.334 6
Hi High (pH 8-9.5) 1.97 6.09 -46.41 1 4 -1 65 264.326 6

Activity (Go SEA)

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