UCSF

ZINC20129055

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 2.27 7.15 -36.36 2 4 1 35 291.415 6
Mid Mid (pH 6-8) 2.27 5.8 -45.67 2 4 1 38 291.415 6

Activity (Go SEA)

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