UCSF

ZINC01875385

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 36 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) 2.44 4.96 -41.38 5 14 1 180 500.54 9
Hi High (pH 8-9.5) 2.44 2.6 -16.67 4 14 0 179 499.532 9

Activity (Go SEA)

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