UCSF

ZINC44269062

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) 4.64 7.65 -5.73 3 3 0 55 263.772 5
Lo Low (pH 4.5-6) 4.64 7.69 -28.66 4 3 1 56 264.78 5

Activity (Go SEA)

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