UCSF

ZINC42777349

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 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) 1.62 6.08 -37.89 2 4 1 38 265.303 6
Hi High (pH 8-9.5) 1.62 4.42 -6.52 1 4 0 33 264.295 6

Activity (Go SEA)

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