UCSF

ZINC07723716

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2006 22 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) 2.66 6.07 -14.05 2 5 0 75 331.784 3
Mid Mid (pH 6-8) 2.73 4.41 -37.73 1 5 -1 81 330.776 3

Activity (Go SEA)

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