UCSF

ZINC08587059

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 25 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) 4.86 9.23 -10.89 1 4 0 47 358.869 8
Mid Mid (pH 6-8) 4.86 9.82 -32.96 2 4 1 49 359.877 8

Activity (Go SEA)

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