UCSF

ZINC44269332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 3.54 8.09 -6.93 2 3 0 44 261.756 2
Lo Low (pH 4.5-6) 3.54 8.19 -25.35 3 3 1 45 262.764 2

Activity (Go SEA)

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