UCSF

ZINC34851368

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 5.41 12.61 -68.93 2 5 1 49 485.574 5
Hi High (pH 8-9.5) 5.41 9.5 -15.92 1 5 0 48 484.566 5

Activity (Go SEA)

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