UCSF

ZINC20357617

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 27 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) 5.05 10.77 -45.65 2 4 1 55 384.883 3
Hi High (pH 8-9.5) 5.05 11.34 -32.2 1 4 0 58 383.875 3

Activity (Go SEA)

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