UCSF

ZINC13552389

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 37 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) 3.55 8.8 -62.63 0 9 -1 107 512.579 12
Mid Mid (pH 6-8) 4.00 9.43 -17.72 1 9 0 104 513.587 11

Activity (Go SEA)

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