UCSF

ZINC03682860

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 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) 3.11 1.24 -5.97 0 2 0 36 218.325 2
Lo Low (pH 4.5-6) 3.11 1.35 -32.39 1 2 1 37 219.333 2

Activity (Go SEA)

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