UCSF

ZINC37085264

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 4.11 8.42 -36.94 2 3 1 43 270.437 6
Hi High (pH 8-9.5) 4.11 7.51 -3.76 1 3 0 38 269.429 6

Activity (Go SEA)

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