UCSF

ZINC34842348

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 32 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) 5.60 12.42 -60.79 2 5 1 49 431.604 5
Hi High (pH 8-9.5) 5.60 9.24 -17.73 1 5 0 48 430.596 5

Activity (Go SEA)

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