UCSF

ZINC19483200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 Yes

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) -0.44 2.6 -94.24 5 4 2 61 215.341 6
Hi High (pH 8-9.5) -0.44 0.36 -48.24 4 4 1 60 214.333 6

Activity (Go SEA)

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