UCSF

ZINC36778218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -2.75 2.98 -66.58 4 8 0 128 249.23 5
Mid Mid (pH 6-8) -2.75 2.4 -54.65 3 8 -1 127 248.222 5

Activity (Go SEA)

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