UCSF

ZINC44674514

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 21 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) 4.32 9.49 -6.6 1 2 0 25 277.367 4
Lo Low (pH 4.5-6) 4.32 10.57 -40.09 2 2 1 30 278.375 4

Activity (Go SEA)

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