UCSF

ZINC13569169

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 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) 5.12 10.87 -59.82 0 7 -1 92 485.541 6
Mid Mid (pH 6-8) 5.57 10.38 -17.81 1 7 0 89 486.549 5

Activity (Go SEA)

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