UCSF

ZINC27256506

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 2.34 4.41 -45.59 3 5 1 63 315.821 8
Hi High (pH 8-9.5) 2.34 2.17 -13.39 2 5 0 62 314.813 8
Lo Low (pH 4.5-6) 2.02 2.63 -49.98 3 5 1 66 315.821 8

Activity (Go SEA)

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