UCSF

ZINC43914208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.67 2.67 -33.94 2 4 1 38 257.398 4
Lo Low (pH 4.5-6) 1.67 5.13 -108.66 3 4 2 40 258.406 4

Activity (Go SEA)

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