UCSF

ZINC02192218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 44 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) 4.18 5.8 -19.55 6 10 0 175 586.562 4
Lo Low (pH 4.5-6) 4.18 6.11 -65.58 7 10 1 177 587.57 4

Activity (Go SEA)

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