UCSF

ZINC64516200

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 33 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) 9.60 17.45 -8.16 2 4 0 67 462.715 23
Hi High (pH 8-9.5) 9.60 18.52 -50.06 1 4 -1 70 461.707 23

Activity (Go SEA)

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