UCSF

ZINC20899322

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 30 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) 3.92 8.97 -16.48 2 6 0 84 421.522 2
Hi High (pH 8-9.5) 4.26 8.95 -42.21 2 6 -1 90 420.514 3

Activity (Go SEA)

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