UCSF

ZINC44869761

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) -0.81 -3.41 -12.9 4 7 0 102 258.322 5
Lo Low (pH 4.5-6) -0.81 -1.1 -50.43 5 7 1 104 259.33 5

Activity (Go SEA)

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