UCSF

ZINC20218969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 31 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) 1.68 8.89 -70.01 1 8 0 96 426.469 9
Hi High (pH 8-9.5) 1.68 6.79 -61.16 0 8 -1 95 425.461 9
Hi High (pH 8-9.5) 1.68 5.83 -46.36 0 8 -1 95 425.461 8

Activity (Go SEA)

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