UCSF

ZINC45699581

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.79 7.13 -35.77 1 4 1 34 293.431 9
Hi High (pH 8-9.5) 2.79 6.67 -35.91 1 4 1 34 293.431 9
Hi High (pH 8-9.5) 2.79 4.65 -7.66 0 4 0 33 292.423 9
Lo Low (pH 4.5-6) 2.79 9.15 -105.26 2 4 2 35 294.439 9

Activity (Go SEA)

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