UCSF

ZINC19512979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 0.82 2.39 -56.52 5 5 1 86 264.349 5
Hi High (pH 8-9.5) 0.82 2.11 -21.9 4 5 0 84 263.341 5

Activity (Go SEA)

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