UCSF

ZINC38441712

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 24 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) 0.62 6.98 -38.07 1 7 1 81 330.364 4
Hi High (pH 8-9.5) 0.62 4.52 -13.55 0 7 0 80 329.356 4

Activity (Go SEA)

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