UCSF

ZINC13475921

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 23 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) 4.09 8.66 -36.05 0 6 -1 90 324.341 4
Hi High (pH 8-9.5) 5.03 7.17 -38.59 0 6 -1 94 324.341 3

Activity (Go SEA)

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