UCSF

ZINC08740923

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 5.96 9.03 -11.84 2 5 0 67 420.896 6
Hi High (pH 8-9.5) 5.96 9.96 -45.88 1 5 -1 70 419.888 6
Hi High (pH 8-9.5) 5.96 9.81 -58.07 1 5 -1 70 419.888 6

Activity (Go SEA)

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