UCSF

ZINC33761923

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 28 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) 0.41 3.91 -52.49 1 8 -1 112 383.38 7
Lo Low (pH 4.5-6) 0.41 2.62 -19.14 2 8 0 109 384.388 7

Activity (Go SEA)

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