UCSF

ZINC36787471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.56 6.48 -85.79 5 3 2 56 235.375 5
Hi High (pH 8-9.5) 1.56 6.74 -36.57 4 3 1 54 234.367 5

Activity (Go SEA)

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