UCSF

ZINC60177396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 34 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) 4.79 14.58 -96.91 2 4 2 27 470.604 5
Hi High (pH 8-9.5) 4.79 12.36 -38.26 1 4 1 26 469.596 5

Activity (Go SEA)

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