UCSF

ZINC08711933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 31 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) 4.99 9.8 -11.88 2 5 0 59 448.876 5
Mid Mid (pH 6-8) 5.17 10.3 -32.22 3 5 1 64 449.884 5

Activity (Go SEA)

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