UCSF

ZINC01123164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 34 Yes

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) 4.77 13.32 -61.78 2 7 -1 102 462.57 6
Lo Low (pH 4.5-6) 4.77 11.91 -16.4 3 7 0 99 463.578 6

Activity (Go SEA)

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