UCSF

ZINC59727068

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) -3.35 -13.24 -16.67 10 13 0 232 481.386 4
Hi High (pH 8-9.5) -3.35 -12.32 -32.2 9 13 0 235 480.378 4

Activity (Go SEA)

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