UCSF

ZINC42607040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 0.31 0.97 -35.54 3 5 1 59 263.402 12
Hi High (pH 8-9.5) 0.31 -0.83 -3.42 2 5 0 54 262.394 12

Activity (Go SEA)

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