UCSF

ZINC44727326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 21 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) 3.69 10.26 -41.43 1 3 1 22 325.263 3
Hi High (pH 8-9.5) 3.69 7.91 -6.27 0 3 0 21 324.255 3

Activity (Go SEA)

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