UCSF

ZINC50053776

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 13 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) 1.52 4.51 -4.78 0 3 0 30 205.685 7
Lo Low (pH 4.5-6) 1.52 6.17 -37.66 1 3 1 31 206.693 7

Activity (Go SEA)

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