UCSF

ZINC34670455

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) 3.37 5.73 -8.66 0 5 0 40 343.423 7
Lo Low (pH 4.5-6) 3.37 7.99 -47.15 1 5 1 41 344.431 7

Activity (Go SEA)

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