UCSF

ZINC20899147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 33 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) 4.36 12.26 -8.44 2 6 0 84 475.957 2
Hi High (pH 8-9.5) 4.70 10.87 -43.5 2 6 -1 90 474.949 3

Activity (Go SEA)

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