UCSF

ZINC10554384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2007 25 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) 2.08 7 -22.41 2 6 0 88 392.531 5
Hi High (pH 8-9.5) 2.54 4.56 -58.52 1 6 -1 91 391.523 5

Activity (Go SEA)

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