UCSF

ZINC34121891

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 27 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) 2.06 7.6 -48.53 1 7 1 79 398.549 5
Hi High (pH 8-9.5) 2.06 5.36 -16.92 0 7 0 78 397.541 5

Activity (Go SEA)

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