UCSF

ZINC08892557

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 35 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) 1.57 8.31 -71.67 2 10 0 125 485.537 10
Hi High (pH 8-9.5) 1.57 5.84 -54.41 1 10 -1 124 484.529 10
Mid Mid (pH 6-8) 2.01 8.49 -48.31 3 10 1 123 486.545 9

Activity (Go SEA)

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