UCSF

ZINC20528781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 31 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) 4.78 9.14 -10.72 2 4 0 62 419.475 3
Lo Low (pH 4.5-6) 4.78 9.59 -52.11 3 4 1 64 420.483 3

Activity (Go SEA)

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