UCSF

ZINC34670438

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 25 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) 2.93 6.37 -10.88 0 5 0 40 343.423 7
Lo Low (pH 4.5-6) 2.93 8.63 -47.54 1 5 1 41 344.431 7

Activity (Go SEA)

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