UCSF

ZINC20888760

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 34 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) 5.09 11.4 -18.9 2 7 0 91 474.586 5
Hi High (pH 8-9.5) 4.90 10.33 -52.14 1 7 -1 98 473.578 5

Activity (Go SEA)

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