UCSF

ZINC40439639

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 14 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) -3.37 -3.58 -53.89 6 7 0 140 203.198 5
Hi High (pH 8-9.5) -3.37 -3.93 -43.24 5 7 -1 138 202.19 5

Activity (Go SEA)

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