UCSF

ZINC37007949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.79 4.27 -48.82 4 4 1 81 246.334 4
Hi High (pH 8-9.5) 1.79 3.94 -11 3 4 0 79 245.326 4

Activity (Go SEA)

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