UCSF

ZINC20894490

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 3.29 9.54 -17.42 1 6 0 77 464.644 6
Hi High (pH 8-9.5) 3.47 8.46 -49.1 0 6 -1 83 463.636 6

Activity (Go SEA)

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