UCSF

ZINC37461868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -0.43 0.29 -44.79 1 7 -1 99 265.311 5
Hi High (pH 8-9.5) -0.43 0.11 -108.65 0 7 -2 101 264.303 5

Activity (Go SEA)

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