UCSF

ZINC19677422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 19 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) -0.89 0.87 -48.14 2 7 1 78 291.397 3
Hi High (pH 8-9.5) -0.89 -0.41 -15.29 1 7 0 73 290.389 3

Activity (Go SEA)

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