UCSF

ZINC34468681

Substance Information

In ZINC since Heavy atoms Benign functionality
August 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) 2.80 6.72 -60.75 5 8 1 116 462.574 11
Hi High (pH 8-9.5) 2.80 5.37 -17.17 4 8 0 112 461.566 11

Activity (Go SEA)

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