UCSF

ZINC44888842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.52 3.61 -37.13 1 7 -1 91 294.722 5
Lo Low (pH 4.5-6) 1.52 3.87 -12.06 2 7 0 93 295.73 5

Activity (Go SEA)

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