UCSF

ZINC05343413

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 30 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) 3.62 6.66 -17.05 3 6 0 89 423.538 6
Ref Reference (pH 7) 3.62 6.59 -14.44 3 6 0 89 423.538 6
Hi High (pH 8-9.5) 3.62 7.41 -46.13 2 6 -1 92 422.53 6
Hi High (pH 8-9.5) 3.39 6.43 -60.77 1 6 -1 88 422.53 6
Hi High (pH 8-9.5) 3.39 6.4 -52.54 1 6 -1 88 422.53 6

Activity (Go SEA)

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