UCSF

ZINC20649787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 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) 2.68 7.23 -61.17 1 8 1 75 453.515 6
Hi High (pH 8-9.5) 2.68 4.31 -14.6 0 8 0 74 452.507 6
Lo Low (pH 4.5-6) 2.68 6.64 -57.08 1 8 1 75 453.515 6

Activity (Go SEA)

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