UCSF

ZINC17249241

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 23 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) 2.19 6.29 -24.41 1 7 0 86 331.353 6
Hi High (pH 8-9.5) 2.37 3.79 -53.51 0 7 -1 93 330.345 6

Activity (Go SEA)

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