UCSF

ZINC37022461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 3.22 5.6 -9.33 1 3 0 41 233.311 2
Hi High (pH 8-9.5) 3.22 6.48 -57.71 0 3 -1 43 232.303 2

Activity (Go SEA)

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