UCSF

ZINC27420470

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 33 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) -2.99 0.57 -141.37 7 12 -1 215 473.547 14
Hi High (pH 8-9.5) -2.99 0.28 -112.48 6 12 -2 214 472.539 14
Lo Low (pH 4.5-6) -2.99 -0.56 -93.89 8 12 0 213 474.555 14
Lo Low (pH 4.5-6) -2.99 -0.55 -87.06 8 12 0 213 474.555 14

Activity (Go SEA)

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