UCSF

ZINC19789419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 4.47 9.9 -35.05 1 2 1 8 287.471 3
Hi High (pH 8-9.5) 4.47 7.6 -1.76 0 2 0 6 286.463 3

Activity (Go SEA)

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