UCSF

ZINC34874318

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 34 No

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) 2.83 6.54 -31.07 3 8 0 116 481.574 8
Hi High (pH 8-9.5) 2.83 7.69 -72.17 2 8 -1 119 480.566 8

Activity (Go SEA)

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