UCSF

ZINC08228892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 23 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) 2.79 4.56 -12.31 2 6 0 84 309.325 3
Ref Reference (pH 7) 2.79 4.39 -18.04 2 6 0 84 309.325 3
Hi High (pH 8-9.5) 3.25 2.5 -58.8 1 6 -1 87 308.317 3
Hi High (pH 8-9.5) 3.25 2.82 -48.3 1 6 -1 87 308.317 3

Activity (Go SEA)

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