UCSF

ZINC22078501

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 28 No

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) 1.86 5.41 -70.85 3 6 0 97 400.862 8
Hi High (pH 8-9.5) 1.86 3.92 -59.49 2 6 -1 93 399.854 8

Activity (Go SEA)

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