UCSF

ZINC53157922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.02 6.15 -40.78 2 2 1 20 271.787 3
Lo Low (pH 4.5-6) 3.02 8.24 -111.22 3 2 2 21 272.795 3

Activity (Go SEA)

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