UCSF

ZINC15723006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 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) 3.94 5.43 -43.94 1 5 -1 74 339.396 4
Ref Reference (pH 7) 4.43 5.99 -10.26 2 5 0 75 340.404 3
Hi High (pH 8-9.5) 4.89 4.24 -47.59 1 5 -1 78 339.396 3
Hi High (pH 8-9.5) 4.89 3.56 -48.5 1 5 -1 78 339.396 3

Activity (Go SEA)

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