UCSF

ZINC52075798

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 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) 3.04 7.99 -39.74 2 3 1 34 279.791 7
Hi High (pH 8-9.5) 3.04 5.88 -7.77 1 3 0 32 278.783 7

Activity (Go SEA)

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